53377452
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255
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3.732
3.732
4.5981
5.4641
5.4641
5.4641
6.3776
5.5686
7.0468
6.5468
4.5981
3.732
3.732
2.866
4.5981
2.866
2
4.5981
2
6.3301
6.3301
7.2241
7.2241
8.1301
8.1301
4.9441
6.0677
6.8792
5.5038
4.9486
7.4616
7.5484
7.1132
6.3552
5.135
2.866
2.866
1.4631
1.4631
5.4641
7.2169
7.2169
8.6659
8.6659
2.2088
-2.7912
0.7088
-0.7912
-2.7912
2.2088
1.802
3.2033
2.5452
3.4112
1.7088
0.2088
-0.7912
0.7088
-1.2912
-1.2912
0.2088
-2.2912
-0.7912
-1.2912
-2.2912
-0.7566
-2.8259
-1.2704
-2.312
2.5465
1.2651
1.4376
3.8199
3.2033
2.0844
2.9096
3.6634
4.0009
0.3988
1.3288
-1.9112
0.5188
-1.1012
-3.4112
-0.1366
-3.4458
-0.9583
-2.6241
8
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4
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5
12
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24
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25
0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
553
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
2
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B3000000000000000000000000000000180000000306080000000000000814000001E00100000000D0881980030C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]cyclopentanecarboxamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]cyclopentanecarboxamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]cyclopentanecarboxamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]cyclopentanecarboxamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]cyclopentanecarboxamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C20H19N3O2/c24-19(13-7-1-2-8-13)22-15-10-4-3-9-14(15)18-20(25)23-17-12-6-5-11-16(17)21-18/h3-6,9-13H,1-2,7-8H2,(H,22,24)(H,23,25)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
DQSIGCQGKXBGOG-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
333.147727
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C20H19N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
333.38376
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1CCC(C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1CCC(C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
70.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
333.147727
25
0
0
0
0
0
0
0
1
18