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5.4641
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
6.3301
6.3301
4.5981
7.2241
4.5981
7.2241
8.1301
6.3301
4.5981
8.1301
3.732
5.4641
2.866
3.732
2
2.866
9.8622
2
8.9904
4.386
3.9875
6.9407
6.5422
6.5422
6.9407
3.9875
4.386
6.8671
4.0611
7.2169
7.2169
6.8671
4.0611
2.866
4.269
1.4631
2.866
10.1701
10.4003
9.5542
1.4631
9.6104
8.988
8.3704
-5.25
1.7258
3.7742
0.75
-1.25
2.25
3.75
0.25
0.25
-0.75
-0.75
1.75
-2.25
2.25
3.25
-2.75
-2.75
1.7153
3.25
3.7847
2.2292
-3.75
-3.75
3.2708
3.75
-4.25
3.25
4.75
3.75
5.25
2.2225
4.75
4.7741
0.8326
0.1423
0.1423
0.8326
-1.3326
-0.6423
-0.6423
-1.3326
-2.44
-2.44
1.0954
4.4046
-4.06
-4.06
2.63
5.06
3.44
5.87
1.6844
2.5304
2.7606
5.06
4.7765
5.3941
4.7718
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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
605
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
6
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
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB0000400000000000000000000000000000000003C78C1020000000000B1F400001E02000000000C0EC19F2633F6F7081400A003266264008288292127A00998203EEE988D6EA2C5FBDB94342A6EC01BCAE827B0D0130E20404102000240004080820400048000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-(4-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-phenyl-quinazoline
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-(4-chlorophenyl)-1-piperazinyl]-6,7-dimethoxy-2-phenylquinazoline
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-(4-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-phenylquinazoline
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-(4-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-2-phenyl-quinazoline
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
4-[4-(4-chlorophenyl)piperazino]-6,7-dimethoxy-2-phenyl-quinazoline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C26H25ClN4O2/c1-32-23-16-21-22(17-24(23)33-2)28-25(18-6-4-3-5-7-18)29-26(21)31-14-12-30(13-15-31)20-10-8-19(27)9-11-20/h3-11,16-17H,12-15H2,1-2H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
WBKTYFLLGJSXBU-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
5.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
460.166604
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C26H25ClN4O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
460.9553
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)Cl)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)Cl)OC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
50.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
460.166604
33
0
0
0
0
0
0
0
1
1