4679731
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3.732
8.9942
8.9942
5.4641
5.4641
4.5981
5.4641
4.5981
6.3301
4.5981
6.3301
5.4641
5.4641
6.3301
4.5981
6.3301
6.3301
7.2241
4.5981
4.5981
7.2241
6.3301
8.1301
8.1301
5.4641
3.732
3.732
2.866
2.866
2.866
2
9.8622
2
8.9904
4.386
3.9875
6.9407
6.5422
6.5422
6.9407
3.9875
4.386
6.8671
7.2169
4.0611
7.2169
6.8671
5.4641
4.269
2.866
2.556
2.3291
3.176
2.866
1.4631
10.1701
10.4003
9.5542
1.4631
9.6104
8.988
8.3704
-2.75
1.2259
3.2742
0.25
-1.75
1.75
3.25
-0.25
-0.25
-1.25
-1.25
1.25
-2.75
1.75
-3.25
-3.25
2.75
1.2153
2.75
-4.25
3.2847
-4.25
1.7292
2.7708
-4.75
3.25
4.25
2.75
-3.25
4.75
3.25
1.7225
4.25
4.2741
0.3326
-0.3577
-0.3577
0.3326
-1.8326
-1.1423
-1.1423
-1.8326
-2.94
0.5954
-4.56
3.9046
-4.56
-5.37
4.56
2.13
-2.7131
-3.56
-3.7869
5.37
2.94
1.1844
2.0304
2.2606
4.56
4.2765
4.8941
4.2718
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
625
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
7
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
0
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB0000000000000000000000000000000000000003C78C1020000000000B1F400001E00000000000C0CC19F0633F6F7081400A003266264008288292122A00998203FEC988F6EA2C4F9DB95342A6EC01BDAE827B0D0130E2040010200025000408002040004A000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-quinazoline
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
6,7-dimethoxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]-2-phenylquinazoline
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylquinazoline
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenyl-quinazoline
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazino]-2-phenyl-quinazoline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C27H28N4O3/c1-32-23-12-8-7-11-22(23)30-13-15-31(16-14-30)27-20-17-24(33-2)25(34-3)18-21(20)28-26(29-27)19-9-5-4-6-10-19/h4-12,17-18H,13-16H2,1-3H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
LAKZIVWNOULFMV-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
5.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
456.216141
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C27H28N4O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
456.53622
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5=CC=CC=C5
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC=CC=C1N2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5=CC=CC=C5
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
60
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
456.216141
34
0
0
0
0
0
0
0
1
1