53382850
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2.866
3.732
5.4641
3.732
2.866
2.866
2.866
4.5981
6.3301
2
3.732
5.4641
6.3301
2
3.732
3.732
2.866
4.5981
7.2241
7.2241
3.732
2
8.1301
8.1301
3.732
2
2.866
2.654
2.2554
1.4631
4.269
4.269
5.4641
1.4631
4.269
7.2169
7.2169
4.269
1.4631
8.6659
8.6659
4.269
1.4631
3.732
3.1951
2.866
2.94
1.44
4.44
4.44
-0.06
0.94
-2.06
2.94
2.94
-0.56
-0.56
2.44
3.94
-1.56
-1.56
2.44
-3.06
3.94
2.4053
4.4747
-3.56
-3.56
2.9192
3.9608
-4.56
-4.56
-5.06
1.5226
0.8323
-0.25
-0.25
1.13
1.82
-1.87
-1.87
1.7854
5.0946
-3.25
-3.25
2.6071
4.2729
-4.87
-4.87
5.06
4.13
-5.68
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
482
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
2
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B20000000000000000000000000000000000000003C60C1000000000000B1F400001E00100000000C08C19E0431F0F2C81000A803277274008280292502200898A13864D88820FAC0D591842188608602C8C9E71889C09EC0000000000200008000000000040000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-amino-N-[(4-phenylphenyl)methyl]-3-quinolinecarboxamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-amino-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-azanyl-N-[(4-phenylphenyl)methyl]quinoline-3-carboxamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-amino-N-(4-phenylbenzyl)quinoline-3-carboxamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C23H19N3O/c24-22-20(14-19-8-4-5-9-21(19)26-22)23(27)25-15-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H,15H2,(H2,24,26)(H,25,27)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
XMFAEFAZCFUPJW-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
353.152812
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C23H19N3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
353.41646
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4N=C3N
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C(C=C1)C2=CC=C(C=C2)CNC(=O)C3=CC4=CC=CC=C4N=C3N
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
68
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
353.152812
27
0
0
0
0
0
0
0
1
9