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4.5981
5.4641
5.4641
7.1962
4.5981
8.0622
8.0622
6.3301
5.4641
7.1962
8.9561
8.9561
6.3301
5.4641
9.8622
9.8622
8.9446
8.9446
4.5981
3.732
3.732
2.866
2.866
2
2
4.8535
5.252
7.1962
7.1962
6.0747
5.6762
10.3979
10.3979
9.5645
8.9374
8.3246
8.3246
8.9374
9.5645
4.0611
2.866
2.866
1.4631
1.4631
3.7673
-2.7327
2.2673
-2.7327
0.7673
-1.2327
-2.2327
-1.2327
-0.7327
-0.7327
-0.698
-2.7674
-2.2327
0.2673
-1.2119
-2.2535
0.3019
-3.7673
1.7673
2.2673
3.2673
1.7673
3.7673
2.2673
3.2673
-0.625
-1.3153
-0.1127
-3.3527
0.1596
0.8499
-0.8998
-2.5656
0.3091
0.9218
0.2947
-3.7601
-4.3873
-3.7745
0.4573
1.1473
4.3873
1.9573
3.5773
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
548
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
2
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B3000040000000000000000000000000000000000306080000000000000814000001E02100000000C0AC1982432C082C000008802255250008200002505000888810846C8082032C19791842108609600C8CD871C88C08EC0000240001300008000048000260000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-chloro-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-chloro-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-chloro-N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-chloranyl-N-[2-(5,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethyl]benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-chloro-N-[2-(2-keto-5,8-dimethyl-1H-quinolin-3-yl)ethyl]benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H19ClN2O2/c1-12-7-8-13(2)18-16(12)11-14(19(24)23-18)9-10-22-20(25)15-5-3-4-6-17(15)21/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
GLJKDKYKVTXUJL-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
354.113506
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H19ClN2O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
354.83006
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=O)C3=CC=CC=C3Cl
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C2C=C(C(=O)NC2=C(C=C1)C)CCNC(=O)C3=CC=CC=C3Cl
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
58.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
354.113506
25
0
0
0
0
0
0
0
1
26