54684102
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255
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5.4641
3.732
5.4641
6.3301
5.4641
6.3301
4.5981
4.5981
5.4641
6.3301
7.2241
3.732
7.2241
6.3301
8.1301
8.1301
2.866
3.732
2
2.866
2
5.252
4.8535
6.5422
6.9407
7.2169
7.2169
6.9501
6.3301
5.7101
8.6659
8.6659
2.866
4.269
6.001
1.4631
2.866
1.4631
-2.5
0.5
0.5
0
1.5
-1
-1
0
-1.5
2
0.5347
-1.5
-1.5347
3
0.0208
-1.0208
-1
-2.5
-1.5
-3
-2.5
2.0826
1.3923
1.4174
2.1077
1.1546
-2.1546
3
3.62
3
0.3329
-1.3329
-0.38
-2.81
-2.81
-1.19
-3.62
-2.81
8
8
8
8
8
8
8
8
8
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8
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0
Compound
Canonicalized
5
2011.12.21
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.12.21
423
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.12.21
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.12.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.12.21
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.12.21
00000371E07A3000000000000000000000000000000000000000306080000000000000814000001E00000800000C0CC1980432C083000200880225525000820000212200088801086CC8082632C0959184700866C601C8D90798C8A08E00000000000200000000000000040000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-hydroxy-3-phenyl-1-propyl-quinolin-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-hydroxy-3-phenyl-1-propyl-2-quinolinone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-hydroxy-3-phenyl-1-propylquinolin-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-oxidanyl-3-phenyl-1-propyl-quinolin-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2011.12.21
4-hydroxy-3-phenyl-1-propyl-carbostyril
InChI
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
InChI=1S/C18H17NO2/c1-2-12-19-15-11-7-6-10-14(15)17(20)16(18(19)21)13-8-4-3-5-9-13/h3-11,20H,2,12H2,1H3
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
VJRTWEUTEIJBQW-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.12.21
3.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
279.125929
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
C18H17NO2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
279.33308
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2011.12.21
CCCN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)O
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2011.12.21
CCCN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.12.21
40.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
279.125929
21
0
0
0
0
0
0
0
1
3