59213598
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4.5981
8.9942
8.9942
5.4641
4.5981
5.4641
5.4641
4.5981
6.3301
4.5981
6.3301
5.4641
5.4641
6.3301
6.3301
7.2241
4.5981
7.2241
8.1301
8.1301
3.732
3.732
2.866
2.866
2
9.8622
2
8.9904
6.001
3.9875
4.386
6.5422
6.9407
4.386
3.9875
6.9407
6.5422
4.8441
5.4641
6.0841
7.2169
7.2169
2.866
2.866
1.4631
10.1701
10.4003
9.5542
1.4631
9.6104
8.988
8.3704
3.75
0.2258
2.2742
-0.75
0.75
2.25
-2.75
-2.25
-2.25
-1.25
-1.25
-3.75
0.25
0.75
1.75
0.2153
1.75
2.2847
0.7292
1.7708
2.25
3.25
1.75
3.75
2.25
0.7225
3.25
3.2741
-3.06
-2.1423
-2.8326
-2.8326
-2.1423
-0.6674
-1.3577
-1.3577
-0.6674
-3.75
-4.37
-3.75
-0.4046
2.9046
1.13
4.37
1.94
0.1844
1.0304
1.2606
3.56
3.2765
3.8941
3.2718
8
8
8
8
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8
5
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6
13
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0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
502
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B31000000000000000000000000000000000000003C7881000000000000B1F400001F00000000000D0CC19F0E33F6F7081400A003266264008288292122A00998203EEC988D2EA2C4F9DB84342A6EC01BCAE827B0D0130E20400102000240004080020400048000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(2-fluorophenyl)-6,7-dimethoxy-4-(4-methyl-1-piperidyl)quinazoline
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(2-fluorophenyl)-6,7-dimethoxy-4-(4-methyl-1-piperidinyl)quinazoline
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(2-fluorophenyl)-6,7-dimethoxy-4-(4-methylpiperidin-1-yl)quinazoline
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(2-fluorophenyl)-6,7-dimethoxy-4-(4-methylpiperidin-1-yl)quinazoline
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(2-fluorophenyl)-6,7-dimethoxy-4-(4-methylpiperidino)quinazoline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C22H24FN3O2/c1-14-8-10-26(11-9-14)22-16-12-19(27-2)20(28-3)13-18(16)24-21(25-22)15-6-4-5-7-17(15)23/h4-7,12-14H,8-11H2,1-3H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
MEJBNJDWVMOBCB-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
381.185255
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C22H24FN3O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
381.443263
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1CCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4F
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1CCN(CC1)C2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=CC=C4F
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
47.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
381.185255
28
0
0
0
0
0
0
0
1
1