54684103
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5.4641
3.732
5.4641
5.4641
6.3301
6.3301
6.3301
4.5981
4.5981
5.4641
6.3301
7.2241
3.732
7.2241
7.1962
8.1301
8.1301
3.732
2.866
2.866
2
2
5.252
4.8535
6.5422
6.9407
6.1181
5.7196
7.2169
7.2169
7.5062
7.7331
6.8862
8.6659
8.6659
4.269
2.866
6.001
2.866
1.4631
1.4631
-2.75
0.25
0.25
1.25
-0.25
1.75
-1.25
-0.25
-1.25
-1.75
2.75
0.2847
-1.75
-1.7847
3.25
-0.2292
-1.2708
-2.75
-1.25
-3.25
-1.75
-2.75
1.8326
1.1423
1.1674
1.8577
3.3326
2.6423
0.9046
-2.4046
2.7131
3.56
3.7869
0.0829
-1.5829
-3.06
-0.63
-3.06
-3.87
-1.44
-3.06
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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
437
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
4
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
1-butyl-4-hydroxy-3-phenyl-quinolin-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2011.12.21
1-butyl-4-hydroxy-3-phenyl-2-quinolinone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2011.12.21
1-butyl-4-hydroxy-3-phenylquinolin-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2011.12.21
1-butyl-4-oxidanyl-3-phenyl-quinolin-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2011.12.21
1-butyl-4-hydroxy-3-phenyl-carbostyril
InChI
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
InChI=1S/C19H19NO2/c1-2-3-13-20-16-12-8-7-11-15(16)18(21)17(19(20)22)14-9-5-4-6-10-14/h4-12,21H,2-3,13H2,1H3
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
BITGZPFCMXYHLN-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.12.21
3.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
293.141579
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
C19H19NO2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
293.35966
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2011.12.21
CCCCN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)O
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2011.12.21
CCCCN1C2=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
293.141579
22
0
0
0
0
0
0
0
1
3