4789380
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
8
8
8
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
2
3
3
4
4
4
5
5
6
6
6
7
8
8
9
11
11
12
13
13
14
14
15
15
16
16
17
17
18
18
19
19
20
21
21
22
22
23
23
24
24
26
26
27
27
28
29
29
29
10
12
25
29
8
10
31
7
9
7
11
12
10
9
15
16
13
30
14
17
18
21
22
19
32
20
33
23
34
24
35
20
36
37
26
38
27
39
25
40
25
41
28
42
28
43
44
45
46
47
2
2
1
1
1
1
1
2
1
1
2
1
1
1
2
2
1
1
1
2
1
2
1
1
1
1
1
1
1
2
1
2
1
1
1
1
2
1
2
1
1
1
2
1
1
1
1
1
1
1
6
7
12
11
13
30
3
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
5.4641
4.5981
8.9282
7.1962
7.1962
5.4641
6.3301
8.0622
8.0622
6.3301
5.4641
4.5981
6.3301
3.732
8.9561
8.9561
6.3301
7.1962
9.8622
9.8622
2.866
3.732
7.1962
8.0622
8.0622
2
2.866
2
8.9282
4.9272
7.1962
8.949
8.949
5.7932
7.1962
10.3979
10.3979
2.866
4.269
7.1962
8.5991
1.4631
2.866
1.4631
9.5482
8.9282
8.3082
-2.69
-2.19
2.31
-2.69
-0.69
-0.69
-1.19
-2.19
-1.19
-2.19
0.31
-1.19
0.81
-0.69
-2.7247
-0.6553
1.81
0.31
-2.2108
-1.1692
-1.19
0.31
2.31
0.81
1.81
-0.69
0.81
0.31
3.31
0.62
-3.31
-3.3446
-0.0354
2.12
-0.31
-2.5229
-0.8571
-1.81
0.62
2.93
0.5
-1
1.43
0.62
3.31
3.93
3.31
8
8
8
8
1
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
4
4
5
5
6
7
8
8
9
13
13
14
14
15
16
17
18
19
21
22
23
24
26
27
8
10
7
9
11
10
9
15
16
17
18
21
22
19
20
23
24
20
26
27
25
25
28
28
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
670
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
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
00000371E07B30000000000000000000000000000000000000003060C1000000000000815000001E00100000000C0C81980232C682C00400A803A5725400820800252200088801267CD80C6632C4B59B94312864D411C8E9879DC8808E20000000000000204000000000000040000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[1-benzoyl-2-(4-methoxyphenyl)vinyl]-1H-quinoxalin-2-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[1-(4-methoxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[1-(4-methoxyphenyl)-3-oxidanylidene-3-phenyl-prop-1-en-2-yl]-1H-quinoxalin-2-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
3-[1-benzoyl-2-(4-methoxyphenyl)vinyl]-1H-quinoxalin-2-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C24H18N2O3/c1-29-18-13-11-16(12-14-18)15-19(23(27)17-7-3-2-4-8-17)22-24(28)26-21-10-6-5-9-20(21)25-22/h2-15H,1H3,(H,26,28)
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
DCABMAYQMCFQJB-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
382.131742
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C24H18N2O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
382.41132
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3NC2=O)C(=O)C4=CC=CC=C4
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
COC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3NC2=O)C(=O)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
67.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
382.131742
29
0
0
0
1
0
1
0
1
3