5019834
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
8
8
8
7
7
7
6
6
6
6
6
6
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
1
1
1
1
2
3
3
4
4
4
5
5
6
6
6
7
7
7
8
9
10
10
11
13
13
14
14
15
15
16
16
17
17
18
19
20
20
21
21
22
23
23
24
24
25
25
26
27
28
28
28
12
19
25
28
10
12
29
8
11
9
19
32
8
9
13
12
14
11
15
16
17
30
18
31
21
33
22
34
18
35
36
20
23
24
22
37
38
26
39
27
40
26
27
41
42
43
44
45
2
2
1
1
1
1
1
2
1
1
1
1
1
1
2
1
2
1
2
2
1
1
1
1
1
1
1
1
2
1
1
1
2
1
2
1
1
1
1
2
1
2
1
1
1
1
1
1
1
5
255
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
3.732
3.732
8.0622
5.4641
5.4641
4.5981
3.732
4.5981
3.732
6.3301
6.3301
4.5981
2.866
2.866
7.2241
7.2241
2
2
4.5981
5.4641
8.1301
8.1301
6.3301
5.4641
7.1962
7.1962
6.3301
8.0622
5.4641
2.866
2.866
5.135
7.2169
7.2169
1.4631
1.4631
8.6659
8.6659
6.3301
4.9272
7.7331
6.3301
8.6822
8.0622
7.4422
-3.44
1.56
3.06
-3.44
-1.44
0.06
-1.44
-1.94
-0.44
-2.94
-1.94
-2.94
-1.94
0.06
-3.4747
-1.4053
-1.44
-0.44
1.06
1.56
-2.9608
-1.9192
1.06
2.56
2.56
1.56
3.06
4.06
-4.06
-2.56
0.68
-0.25
-4.0946
-0.7854
-1.75
-0.13
-3.2729
-1.6071
0.44
2.87
1.25
3.68
4.06
4.68
4.06
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
4
4
5
5
7
7
8
9
10
10
11
13
14
15
16
17
20
20
21
23
24
25
25
10
12
8
11
9
13
12
14
11
15
16
17
18
21
22
18
23
24
22
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
612
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0C81980232C682C00400A80325725400820800252200088801267CD80C66B2C4B59B94312864D411C8E9879CDC82CE20000000000200204000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-methoxy-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-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-methoxy-N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
4-methoxy-N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]benzamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]-4-methoxy-benzamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C22H17N3O3/c1-28-15-12-10-14(11-13-15)21(26)24-17-7-3-2-6-16(17)20-22(27)25-19-9-5-4-8-18(19)23-20/h2-13H,1H3,(H,24,26)(H,25,27)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
REWKBTXQKJGFMK-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
371.126991
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C22H17N3O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
371.38868
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=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
COC1=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
371.126991
28
0
0
0
0
0
0
0
1
10