53383349
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7.0468
3.5827
3.4782
10.6808
5.3147
5.3147
6.6808
2.7166
5.3147
4.4487
6.1808
4.4487
6.1808
4.4487
6.1808
3.5827
4.4487
3.5827
7.0747
5.3587
7.0747
2.7166
3.5827
7.9808
3.5666
7.9808
7.6808
5.3667
4.4646
2.6691
8.1808
8.1808
2
2.5
9.1808
9.1808
9.6808
11.1808
5.8517
3.5827
7.0675
5.892
6.3708
7.0675
2.1797
8.5165
3.0261
8.5165
5.9049
4.4623
2.5402
7.8708
7.8708
1.3834
2.2478
9.4908
9.4908
10.6438
11.4908
11.7177
-0.3166
0.6834
3.6779
-1.6826
0.6834
2.6834
-1.6826
-1.8166
-0.3166
-0.8166
1.1834
-1.8166
-0.8166
1.1834
2.1834
-0.3166
2.1834
-2.3166
0.6488
-2.3234
2.7181
-0.8166
2.6834
1.1626
-3.3581
2.2042
-1.6826
-3.365
-3.8858
2.2767
-0.8166
-2.5486
3.0198
3.8858
-0.8166
-2.5486
-1.6826
-2.5486
-0.0066
0.3034
0.0288
-2.0072
-2.2195
3.338
-0.5066
0.8505
-3.6619
2.5163
-3.673
-4.5058
1.6702
-0.2797
-3.0856
2.955
4.4522
-0.2797
-3.0856
-2.8586
-3.0856
-2.2386
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0
Compound
Canonicalized
5
2011.09.13
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.12.21
888
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
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.12.21
00000371E07BB8000000000000000000000000000001200000003C60C1020000000000B1FC00001E00100000000C2CE19E063EC6F3C81440A803BD77D40482882035222008D821BE7CD80C66FECCB5BB963928E6F611C8E987B8C9C09E80400000000200200080000000040040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2011.12.21
2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-N-(4-methoxyphenyl)-2-(4-quinolyl)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-(4-methoxyphenyl)-2-(4-quinolinyl)acetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2011.12.21
2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-ylacetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2011.12.21
2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-N-(4-methoxyphenyl)-2-quinolin-4-yl-ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2011.12.21
2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]-N-(4-methoxyphenyl)-2-(4-quinolyl)acetamide
InChI
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
InChI=1S/C30H22N4O4/c1-37-20-14-12-19(13-15-20)32-29(35)28(22-16-17-31-23-8-3-2-7-21(22)23)34-25-10-5-4-9-24(25)33-27(30(34)36)26-11-6-18-38-26/h2-18,28H,1H3,(H,32,35)
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2011.12.21
WAGLVRMLVMEZQG-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.12.21
4.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
502.164105
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
C30H22N4O4
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
502.52008
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2011.12.21
COC1=CC=C(C=C1)NC(=O)C(C2=CC=NC3=CC=CC=C23)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2011.12.21
COC1=CC=C(C=C1)NC(=O)C(C2=CC=NC3=CC=CC=C23)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.12.21
97
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.12.21
502.164105
38
1
0
1
0
0
0
0
1
7