53377447
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3.732
4.5981
5.4641
5.4641
5.4641
6.4641
5.9641
4.5981
3.732
3.732
2.866
4.5981
2.866
2
2
4.5981
6.3301
6.3301
7.2241
7.2241
8.1301
8.1301
5.6246
6.5718
7.0467
6.439
5.4892
4.386
3.9875
5.135
2.866
2.866
1.4631
1.4631
5.4641
7.2169
7.2169
8.6659
8.6659
-2.623
0.877
-0.623
-2.623
2.377
2.377
3.243
1.877
0.377
-0.623
0.877
-1.123
-1.123
0.377
-0.623
-2.123
-1.123
-2.123
-0.5884
-2.6577
-1.1022
-2.1438
1.7781
1.7664
2.589
3.6415
3.6415
2.4596
1.7693
0.567
1.497
-1.743
0.687
-0.933
-3.243
0.0316
-3.2776
-0.7901
-2.4559
8
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
457
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07B2000000000000000000000001800000000000000306080000000000000814000001E00100000000D08C1980430C082C00000A803257254008200002102000888812874980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-[2-(cyclopropylmethylamino)phenyl]-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-[2-(cyclopropylmethylamino)phenyl]-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-[2-(cyclopropylmethylamino)phenyl]-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-[2-(cyclopropylmethylamino)phenyl]-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
3-[2-(cyclopropylmethylamino)phenyl]-1H-quinoxalin-2-one
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C18H17N3O/c22-18-17(20-15-7-3-4-8-16(15)21-18)13-5-1-2-6-14(13)19-11-12-9-10-12/h1-8,12,19H,9-11H2,(H,21,22)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
KNTBINOEINFSHS-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
291.137162
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C18H17N3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
291.34708
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
C1CC1CNC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
C1CC1CNC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
53.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
291.137162
22
0
0
0
0
0
0
0
1
8