20894956
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
46
47
48
49
50
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
6
6
1
1
1
1
1
1
1
1
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
7
7
7
8
8
10
11
11
12
12
13
13
14
15
15
16
16
17
17
18
19
19
20
20
21
21
22
22
23
24
24
25
25
26
27
28
28
28
29
29
29
9
26
6
7
9
8
10
14
26
40
10
13
12
30
31
9
11
15
14
16
19
20
17
32
21
18
33
22
34
18
35
36
24
37
25
38
23
39
23
41
42
27
43
27
44
28
45
29
46
47
48
49
50
2
2
1
1
1
2
1
1
1
1
1
2
1
1
1
1
1
2
1
2
2
1
1
1
2
1
1
1
1
2
1
1
1
1
2
1
1
1
2
1
1
2
1
1
1
1
1
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
46
47
48
49
50
3.732
3.732
5.4641
5.4641
4.5981
6.3301
5.4641
4.5981
4.5981
6.3301
3.732
6.3301
7.2241
3.732
7.2241
2.866
8.1301
8.1301
6.3301
7.1962
2.866
2
2
7.1962
8.0622
4.5981
8.0622
5.4641
5.4641
4.8535
5.252
7.2169
7.2169
2.866
8.6659
8.6659
5.7932
7.1962
2.866
5.135
1.4631
1.4631
7.1962
8.5991
8.5991
5.6762
6.0747
6.0841
5.4641
4.8441
-1.5
3.5
-1.5
0.5
2
-1
-2.5
0
-1
0
0.5
-3
-1.5347
1.5
0.5347
0
-1.0208
0.0208
-4
-2.5
2
0.5
1.5
-4.5
-3
3
-4
3.5
4.5
-2.3923
-3.0826
-2.1546
1.1546
-0.62
-1.3329
0.3329
-4.31
-1.88
2.62
1.69
0.19
1.81
-5.12
-2.69
-4.31
2.9174
3.6077
4.5
5.12
4.5
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
3
3
4
4
6
6
8
10
11
11
12
12
13
14
15
16
17
19
20
21
22
24
25
6
9
8
10
10
13
9
15
14
16
19
20
17
21
18
22
18
24
25
23
23
27
27
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
626
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
1
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
00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C08C1980432C083C00000A803257254008200002102000888012874980860B2C09591942008609600C8C8071C88808E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(4-benzyl-3-oxo-quinoxalin-2-yl)phenyl]propanamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-[3-oxo-4-(phenylmethyl)-2-quinoxalinyl]phenyl]propanamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(4-benzyl-3-oxoquinoxalin-2-yl)phenyl]propanamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-[3-oxidanylidene-4-(phenylmethyl)quinoxalin-2-yl]phenyl]propanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-[2-(4-benzyl-3-keto-quinoxalin-2-yl)phenyl]propionamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C24H21N3O2/c1-2-22(28)25-19-13-7-6-12-18(19)23-24(29)27(16-17-10-4-3-5-11-17)21-15-9-8-14-20(21)26-23/h3-15H,2,16H2,1H3,(H,25,28)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
CVIODVJFCMGFSX-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
383.163377
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C24H21N3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
383.44244
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N(C2=O)CC4=CC=CC=C4
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N(C2=O)CC4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
61.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
383.163377
29
0
0
0
0
0
0
0
1
9