3371115
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255
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3.732
4.5981
5.4641
5.4641
5.4641
5.4641
4.5981
6.3301
3.732
3.732
4.5981
6.3301
2.866
2.866
6.3301
6.3301
4.5981
2
2
7.2241
7.2241
8.1301
8.1301
5.6762
6.0747
5.252
4.8535
4.386
3.9875
6.5422
6.9407
5.135
6.9501
6.3301
5.7101
2.866
2.866
5.4641
1.4631
1.4631
7.2169
7.2169
8.6659
8.6659
-3.44
0.06
-3.44
-1.44
1.56
2.56
1.06
3.06
-0.44
-1.44
-1.94
4.06
0.06
-1.94
-2.94
-1.94
-2.94
-0.44
-1.44
-3.4747
-1.4053
-2.9608
-1.9192
0.9774
1.6677
3.1426
2.4523
1.6426
0.9523
2.4774
3.1677
-0.25
4.06
4.68
4.06
0.68
-2.56
-4.06
-0.13
-1.75
-4.0946
-0.7854
-3.2729
-1.6071
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
434
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
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
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B2000000000000000000000000000000000000000306080000000000000814000001E00100000000C08C1980432C082C00000A803257254008200002102000888812874980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[2-(pentylamino)phenyl]-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[2-(pentylamino)phenyl]-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[2-(pentylamino)phenyl]-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[2-(pentylamino)phenyl]-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[2-(amylamino)phenyl]-1H-quinoxalin-2-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C19H21N3O/c1-2-3-8-13-20-15-10-5-4-9-14(15)18-19(23)22-17-12-7-6-11-16(17)21-18/h4-7,9-12,20H,2-3,8,13H2,1H3,(H,22,23)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
SZHLOGDEBQMUAI-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
307.168462
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C19H21N3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
307.38954
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCNC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCCCCNC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
53.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
307.168462
23
0
0
0
0
0
0
0
1
8