132317808
  -OEChem-06192423302D

 38 40  0     0  0  0  0  0  0999 V2000
    9.8622   -0.1391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7282    0.3884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.1391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6000    1.8851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961   -1.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4961   -2.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9961   -1.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    0.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9961    1.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    1.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3701   -0.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3701    1.8956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.3818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.3884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680    1.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1566   -1.0402    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0212   -2.9036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9711   -2.9036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5787   -1.8511    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1038   -1.0285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5195   -1.0314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9181   -1.7217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6067    1.2533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2082    1.9436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5286    2.3359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7316    2.3359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3773   -0.7937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3773    2.5156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9283    0.0281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6024    2.5051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8703    2.5118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.7072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9976    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 18  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 16  1  0  0  0  0
  4 18  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132317808

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
417

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAGAAAAAAAAAA8QAAAAAAAAACxAAAAHgAQAAAADQjBmAQwwIPAAACIAiVSUACCAAAhAgAIiAEIZMgIIDLAkZGEIAhglgDIyIcYiYCeAACAQAACAAAAAQCAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-[1-(cyclopropylmethyl)-2-oxo-3,4-dihydroquinolin-6-yl]prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-(cyclopropylmethyl)-2-oxidanylidene-3,4-dihydroquinolin-6-yl]prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[1-(cyclopropylmethyl)-2-keto-3,4-dihydroquinolin-6-yl]acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H18N2O2/c1-2-15(19)17-13-6-7-14-12(9-13)5-8-16(20)18(14)10-11-3-4-11/h2,6-7,9,11H,1,3-5,8,10H2,(H,17,19)

> <PUBCHEM_IUPAC_INCHIKEY>
QVMGRNKKMDKJKV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.8

> <PUBCHEM_EXACT_MASS>
270.136827821

> <PUBCHEM_MOLECULAR_FORMULA>
C16H18N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
270.33

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC1=CC2=C(C=C1)N(C(=O)CC2)CC3CC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC1=CC2=C(C=C1)N(C(=O)CC2)CC3CC3

> <PUBCHEM_CACTVS_TPSA>
49.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
270.136827821

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  15  8
14  17  8
15  16  8
16  17  8
9  11  8
9  14  8

$$$$
