59242106
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5
255
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3.732
2
5.4641
2.866
4.5981
5.4641
5.4641
6.3301
6.3301
4.5981
2.866
3.732
4.5981
7.2241
6.3301
7.2241
3.732
4.5981
8.1301
8.1301
2
3.732
2.866
3.732
2.866
2
2.2554
2.654
4.3426
3.9441
7.2169
6.0201
6.8671
6.6401
7.2169
3.732
5.135
8.6659
8.6659
2.31
1.4631
4.042
4.269
3.422
1.69
2.3291
3.732
1.38
2
2.62
1.5
-3.5
-1.5
4
0
1.5
-0.5
0
1
-2
3
2.5
1
-0.5347
-2
1.5347
-1.5
-3
-0.0208
1.0208
4.5
4.5
-2
-3.5
-3
-4.5
3.1077
2.4174
2.3923
3.0826
-1.1546
-2.5369
-2.31
-1.4631
2.1546
-0.88
-3.31
-0.3329
1.3329
5.0369
4.81
3.9631
4.81
5.0369
3.9631
-1.69
-4.12
-4.5
-5.12
-4.5
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
5
5
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10
14
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18
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23
24
7
13
9
13
8
9
14
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20
25
25
0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
415
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
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB0000000000000000000000000000000000000003C6080000000000000B1F400001E00000000000C0CE19E0633F6F7081400A003266264008288292122A00998203E6C988E2EE2C4F9DB8D34286CC013D8E827B0C0000E00400000000200000080000000040000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(dimethylamino)ethoxy]-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(dimethylamino)ethoxy]-N-(4-methoxyphenyl)-N-methyl-4-quinazolinamine
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(dimethylamino)ethoxy]-N-(4-methoxyphenyl)-N-methylquinazolin-4-amine
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(dimethylamino)ethoxy]-N-(4-methoxyphenyl)-N-methyl-quinazolin-4-amine
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
[2-[2-(dimethylamino)ethoxy]quinazolin-4-yl]-(4-methoxyphenyl)-methyl-amine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C20H24N4O2/c1-23(2)13-14-26-20-21-18-8-6-5-7-17(18)19(22-20)24(3)15-9-11-16(25-4)12-10-15/h5-12H,13-14H2,1-4H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
HWJLWSWRZQSFEB-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
352.189926
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C20H24N4O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
352.43016
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CN(C)CCOC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC=C(C=C3)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CN(C)CCOC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC=C(C=C3)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
352.189926
26
0
0
0
0
0
0
0
1
1