16800367
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255
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3.732
3.732
5.4641
4.5981
5.4641
5.4641
5.4641
6.3301
4.5981
4.5981
3.732
3.732
4.5981
4.5981
6.3301
6.3301
6.3301
2.866
2.866
4.5981
2
2
7.2241
7.2241
8.1301
8.1301
5.6762
6.0747
6.5422
6.9407
3.9875
4.386
5.135
5.2181
6.9501
6.3301
5.7101
4.5981
3.9781
2.866
2.866
5.4641
1.4631
1.4631
7.2169
7.2169
8.6659
8.6659
1.56
-3.44
2.56
0.06
-3.44
-1.44
1.56
3.06
3.06
1.06
-0.44
-1.44
-1.94
4.06
4.06
-2.94
-1.94
0.06
-1.94
-2.94
-1.44
-0.44
-3.4747
-1.4053
-2.9608
-1.9192
0.9774
1.6677
2.4774
3.1677
3.1677
2.4774
-0.25
4.06
4.06
4.68
4.06
4.68
4.06
-2.56
0.68
-4.06
-1.75
-0.13
-4.0946
-0.7854
-3.2729
-1.6071
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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
544
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
4
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
00000371E07BB000000000000000000000000000000000000000306080000000000000814000001E00100000000C08C1980432C083C00000A80325725400820000210200088801A874980860B2C095B1942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(diethylamino)-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(diethylamino)-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(diethylamino)-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(diethylamino)-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]ethanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-(diethylamino)-N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]acetamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C20H22N4O2/c1-3-24(4-2)13-18(25)21-15-10-6-5-9-14(15)19-20(26)23-17-12-8-7-11-16(17)22-19/h5-12H,3-4,13H2,1-2H3,(H,21,25)(H,23,26)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
ZVCKRNZWLYWBAB-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
2.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
350.174276
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C20H22N4O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
350.41428
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCN(CC)CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCN(CC)CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
73.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
350.174276
26
0
0
0
0
0
0
0
1
18