821463
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255
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8.9942
5.4641
4.5981
5.4641
5.4641
4.5981
6.3301
4.5981
6.3301
5.4641
6.3301
6.3301
7.2241
4.5981
7.2241
8.1301
3.732
8.1301
3.732
2.866
2.866
2
2
9.8622
5.0656
5.8626
6.5422
6.9407
3.9875
4.386
4.386
3.9875
6.9407
6.5422
7.2169
7.2169
8.6659
4.269
2.866
2.866
1.4631
1.4631
10.1701
10.4003
9.5542
-0.2742
-1.25
0.25
1.75
-3.25
-2.75
-2.75
-1.75
-1.75
-0.25
0.25
1.25
-0.2847
1.25
1.7847
0.2292
1.75
1.2708
2.75
1.25
3.25
1.75
2.75
0.2225
-3.725
-3.725
-3.3326
-2.6423
-2.6423
-3.3326
-1.1674
-1.8577
-1.8577
-1.1674
-0.9046
2.4046
1.5829
3.06
0.63
3.87
1.44
3.06
-0.3156
0.5304
0.7606
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
392
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
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
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B20000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C0CC19F0633F6F7081400A003266264008288292122A00998203E6C988C2EA2C4F9DB8434286CC013C8E827B0C0100E00400100000200000080020000040000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-methoxy-2-phenyl-4-(1-piperidyl)quinazoline
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-methoxy-2-phenyl-4-(1-piperidinyl)quinazoline
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-methoxy-2-phenyl-4-piperidin-1-ylquinazoline
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-methoxy-2-phenyl-4-piperidin-1-yl-quinazoline
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-methoxy-2-phenyl-4-piperidino-quinazoline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C20H21N3O/c1-24-16-10-11-18-17(14-16)20(23-12-6-3-7-13-23)22-19(21-18)15-8-4-2-5-9-15/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
GLFRULYXOVXUCG-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
319.168462
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C20H21N3O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
319.40024
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC2=C(C=C1)N=C(N=C2N3CCCCC3)C4=CC=CC=C4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC2=C(C=C1)N=C(N=C2N3CCCCC3)C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
38.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
319.168462
24
0
0
0
0
0
0
0
1
1