7187728
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12
25
28
19
10
12
31
9
19
32
8
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5
255
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3.732
8.0622
3.732
5.4641
4.5981
5.4641
3.732
4.5981
3.732
6.3301
6.3301
4.5981
2.866
2.866
7.2241
7.2241
2
5.4641
4.5981
2
8.1301
8.1301
6.3301
5.4641
7.1962
7.1962
6.3301
8.0622
8.9282
2.866
5.4641
5.135
2.866
7.2169
7.2169
1.4631
1.4631
8.6659
8.6659
6.3301
4.9272
7.7331
6.3301
7.8501
7.4516
9.2382
9.4651
8.6182
-3.69
2.81
1.31
-3.69
-0.19
-1.69
-1.69
-2.19
-0.69
-3.19
-2.19
-3.19
-2.19
-0.19
-3.7247
-1.6553
-1.69
1.31
0.81
-0.69
-3.2108
-2.1692
0.81
2.31
2.31
1.31
2.81
3.81
4.31
-2.81
-4.31
-0.5
0.43
-4.3446
-1.0354
-2
-0.38
-3.5229
-1.8571
0.19
2.62
1
3.43
4.3926
3.7023
3.7731
4.62
4.8469
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
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8
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4
4
6
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8
9
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14
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18
18
21
23
24
25
25
10
12
8
11
9
13
12
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20
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26
27
26
27
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
627
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
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0CA1980232C682C00400A80325725400820800252200088801267CD80C66B2C4B59B963928E4D411C8E9879CDC82CE20000000000200204000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-ethoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-ethoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-ethoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-ethoxy-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-ethoxy-N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C23H19N3O3/c1-2-29-16-13-11-15(12-14-16)22(27)25-18-8-4-3-7-17(18)21-23(28)26-20-10-6-5-9-19(20)24-21/h3-14H,2H2,1H3,(H,25,27)(H,26,28)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
LQNARSUCARODKM-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
385.142641
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C23H19N3O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
385.41526
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCOC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
79.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
385.142641
29
0
0
0
0
0
0
0
1
10