22692818
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8.1282
4.5799
2.866
2.866
6.3465
6.3233
7.2641
6.358
5.4747
7.2067
7.1951
5.4632
6.358
6.3118
5.4641
5.44
7.172
5.4641
4.5981
5.4285
7.1604
4.5981
3.732
7.2641
6.2887
3.732
3.7081
2
2.866
7.816
7.4254
5.2694
4.863
4.8539
5.2444
7.4004
7.8069
7.7125
4.5981
4.888
7.6937
4.5981
6.2815
3.4043
3.1676
4.0119
2.31
1.4631
1.69
3.486
2.866
2.246
3.5413
-2.4972
1.5171
3.5171
0.4825
-1.5173
1.9963
3.5518
-0.0074
-0.0274
-1.0274
-1.0074
1.4825
-2.5173
2.0171
-3.0072
-3.0272
3.0171
1.5171
-4.0072
-4.0272
3.5171
2.0171
3.038
-4.5171
3.0171
-2.9872
2.0171
4.5171
-0.1422
0.5527
0.5776
-0.108
-0.8926
-1.5875
-1.6124
-0.9268
-2.7235
0.8971
-4.3109
-4.3434
4.1371
-5.1371
-2.4467
-3.291
-3.5277
2.5541
2.3271
1.4802
4.5171
5.1371
4.5171
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
522
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
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB0000400000000000000000000000000000000003C7881000000000000B1F400001E02000000000C0CC19E0633F6F7081400A003266264008288292122A00998203FEC988F6EA2C4F9DB95342A6EC01BDAE827B0D0130E2040010200025000408002040004A000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-chloro-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-chloro-6,7-dimethoxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]quinazoline
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-chloro-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-chloranyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-chloro-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazino]quinazoline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C21H23ClN4O3/c1-27-17-7-5-4-6-16(17)25-8-10-26(11-9-25)20-14-12-18(28-2)19(29-3)13-15(14)23-21(22)24-20/h4-7,12-13H,8-11H2,1-3H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
LFOQLGVFUPBYQA-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
414.145868
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C21H23ClN4O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
414.88532
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)Cl
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)Cl
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
414.145868
29
0
0
0
0
0
0
0
1
1