610518
1
2
3
4
5
6
7
8
9
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11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
8
8
7
7
7
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
6
1
1
1
1
1
1
1
1
1
1
1
1
1
1
2
3
3
3
4
4
5
5
5
6
6
6
7
8
8
9
10
12
12
13
13
14
14
15
15
16
16
17
18
18
19
20
21
21
21
11
20
8
11
22
7
10
9
20
28
7
9
12
11
10
14
13
15
16
23
17
24
18
25
19
26
17
27
29
19
30
31
21
32
33
34
2
2
1
1
1
2
1
1
1
1
1
1
2
1
1
2
2
2
1
1
1
1
1
1
1
1
2
1
1
2
1
1
1
1
1
1
1
5
255
1
2
3
4
5
6
7
8
9
10
11
12
13
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19
20
21
22
23
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25
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31
32
33
34
3.732
3.732
5.4641
5.4641
4.5981
3.732
4.5981
6.3301
3.732
6.3301
4.5981
2.866
2.866
7.2241
7.2241
2
2
8.1301
8.1301
4.5981
5.4641
5.4641
2.866
2.866
7.2169
7.2169
1.4631
5.135
1.4631
8.6659
8.6659
5.7741
6.001
5.1541
-2.19
2.81
-2.19
-0.19
1.31
-0.19
-0.69
-1.69
0.81
-0.69
-1.69
-0.69
1.31
-2.2247
-0.1553
-0.19
0.81
-1.7108
-0.6692
2.31
2.81
-2.81
-1.31
1.93
-2.8446
0.4646
-0.5
1
1.12
-2.0229
-0.3571
2.2731
3.12
3.3469
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
3
3
4
4
6
6
7
8
8
9
10
12
13
14
15
16
18
8
11
7
10
9
12
11
10
14
13
15
16
17
18
19
17
19
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
460
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
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371C07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
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
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]acetamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]ethanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]acetamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C16H13N3O2/c1-10(20)17-12-7-3-2-6-11(12)15-16(21)19-14-9-5-4-8-13(14)18-15/h2-9H,1H3,(H,17,20)(H,19,21)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
OBZQUEWUCBXGNU-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
1.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
279.100777
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C16H13N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
279.29332
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
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
70.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
279.100777
21
0
0
0
0
0
0
0
1
18