3235287
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255
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2.866
5.4641
5.4641
4.5981
5.4641
4.5981
6.3301
4.5981
6.3301
5.4641
5.4641
6.3301
6.3301
4.5981
7.2241
7.2241
3.732
8.1301
8.1301
3.732
2.866
2.866
2
2
2
6.9407
6.5422
4.386
3.9875
6.5422
6.9407
3.9875
4.386
4.8441
5.4641
6.0841
7.2169
7.2169
8.6659
8.6659
4.269
2.866
1.4631
1.4631
2.31
1.4631
1.69
4
-1.5
-3.5
0
1.5
-2
-2
-3
-3
-0.5
-4.5
0
1
1
-0.5347
1.5347
1.5
-0.0208
1.0208
2.5
1
3
1.5
2.5
4.5
-2.1077
-1.4174
-1.4174
-2.1077
-3.5826
-2.8923
-2.8923
-3.5826
-4.5
-5.12
-4.5
-1.1546
2.1546
-0.3329
1.3329
2.81
0.38
1.19
2.81
5.0369
4.81
3.9631
8
8
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8
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8
4
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5
10
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23
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14
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24
0
Compound
Canonicalized
5
2010.07.16
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
426
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
5
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
00000371E07BA0000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C0CC19F0633F6F7081400A003266264008288292122A00998203E6C988C6EA2C4F9DB9434286CC013C8E827B0C0100E00000100000200000000020000040000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(3-methoxyphenyl)-4-(4-methyl-1-piperazinyl)quinazoline
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)quinazoline
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-(3-methoxyphenyl)-4-(4-methylpiperazino)quinazoline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C20H22N4O/c1-23-10-12-24(13-11-23)20-17-8-3-4-9-18(17)21-19(22-20)15-6-5-7-16(14-15)25-2/h3-9,14H,10-13H2,1-2H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
CLCXRQAJNSINLE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
334.179361
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C20H22N4O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
334.41488
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CN1CCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC(=CC=C4)OC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
41.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
334.179361
25
0
0
0
0
0
0
0
1
1