53383348
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
51
52
53
54
55
56
57
58
59
8
8
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
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
1
1
2
3
3
4
4
5
5
6
6
6
7
7
8
8
8
9
9
9
10
10
11
11
12
14
15
16
16
17
17
18
18
19
19
20
21
21
22
22
23
23
24
26
26
27
27
28
28
29
29
30
30
31
32
32
33
33
35
35
35
36
36
36
12
13
20
31
25
35
34
36
9
10
12
14
15
13
26
42
11
13
37
14
16
17
18
15
19
20
21
38
22
39
23
40
24
41
27
24
43
25
44
25
45
46
28
29
30
47
32
48
33
49
31
50
51
34
52
34
53
54
55
56
57
58
59
2
2
1
1
1
1
1
1
1
1
1
1
2
1
1
1
1
1
1
1
2
2
1
1
2
1
1
1
1
1
2
1
1
1
2
2
1
2
1
1
1
1
2
1
1
1
1
1
2
1
2
1
1
2
1
1
1
1
1
1
1
1
1
9
6
11
13
37
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
48
49
50
51
52
53
54
55
56
57
58
59
3.732
7.1962
3.6275
2
9.7942
5.4641
5.4641
6.3301
5.4641
6.3301
4.5981
4.5981
6.3301
6.3301
4.5981
7.2241
4.5981
3.732
7.2241
3.732
8.1301
3.732
2.866
8.1301
2.866
7.1962
2.8185
8.0622
7.1962
2.1494
2.6494
8.9282
8.0622
8.9282
2
9.7942
6.001
7.2169
5.135
3.732
7.2169
5.7932
8.6659
3.732
2.3291
8.6659
2.6896
8.0622
6.6592
1.5328
2.3972
9.4651
8.0622
1.38
2
2.62
9.1742
9.7942
10.4142
1.1488
0.1488
4.1433
-1.8512
-3.3512
1.1488
3.1488
-1.3512
0.1488
1.6488
-0.3512
1.6488
-0.3512
2.6488
2.6488
1.1141
-1.3512
0.1488
3.1834
3.1488
1.628
-1.8512
-0.3512
2.6696
-1.3512
-1.8512
2.742
-1.3512
-2.8512
3.4852
4.3512
-1.8512
-3.3512
-2.8512
-2.8512
-4.3512
0.4588
0.4942
-1.6612
0.7688
3.8034
-1.6612
1.3159
-2.4712
-0.0412
2.9817
2.1356
-0.7312
-3.1612
3.4204
4.9176
-1.5412
-3.9712
-2.8512
-3.4712
-2.8512
-4.3512
-4.9712
-4.3512
8
8
8
8
8
8
3
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
3
3
6
6
7
7
9
10
10
11
11
12
14
16
17
18
19
20
21
22
23
26
26
27
28
29
30
32
33
20
31
10
12
14
15
13
14
16
17
18
15
19
21
22
23
24
27
24
25
25
28
29
30
32
33
31
34
34
0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.12.21
803
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.12.21
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.12.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.12.21
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.12.21
00000371E07B38000000000000000000000000000001200000003060C100000000000081D400001E00100000000C2CE1980632C683C00440A803AD72D404820800252200088801AE7CD80C66BECCB5BB963928E6F611C8E987B8D8838E20400000000000204080000000000040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2011.12.21
2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-N,2-bis(4-methoxyphenyl)acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2011.12.21
2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-N,2-bis(4-methoxyphenyl)acetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2011.12.21
2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N,2-bis(4-methoxyphenyl)acetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2011.12.21
2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-N,2-bis(4-methoxyphenyl)ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2011.12.21
2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]-N,2-bis(4-methoxyphenyl)acetamide
InChI
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
InChI=1S/C28H23N3O5/c1-34-20-13-9-18(10-14-20)26(27(32)29-19-11-15-21(35-2)16-12-19)31-23-7-4-3-6-22(23)30-25(28(31)33)24-8-5-17-36-24/h3-17,26H,1-2H3,(H,29,32)
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
AFWYPFVOZWTPKH-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.12.21
4.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
481.163771
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
C28H23N3O5
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
481.49932
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2011.12.21
COC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2011.12.21
COC1=CC=C(C=C1)C(C(=O)NC2=CC=C(C=C2)OC)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.12.21
93.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
481.163771
36
1
0
1
0
0
0
0
1
3