60291667
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4.5981
2
8.9942
8.9942
3.732
5.4641
4.5981
5.4641
2.866
3.732
2.866
2
2.866
4.5981
3.732
2
6.3301
6.3301
5.4641
3.732
2
7.2241
7.2241
2.866
8.1301
8.1301
8.9904
8.9904
3.403
4.3426
3.9441
2.4675
3.2646
1.3894
1.788
1.4631
4.269
1.4631
7.2169
7.2169
2.866
4.9272
6.001
9.6104
8.988
8.3704
8.3704
8.988
9.6104
1.905
0.405
-0.5708
-2.6192
-0.595
-0.595
-2.095
-3.595
0.905
0.405
-1.095
-0.595
1.905
-1.095
2.405
2.405
-1.095
-2.095
-2.595
3.405
3.405
-0.5603
-2.6297
3.905
-1.0742
-2.1158
0.4291
-3.6191
1.215
0.2973
0.9876
-1.57
-1.57
-0.4873
-1.1776
2.095
3.715
3.715
0.0596
-3.2496
4.525
-3.905
-3.905
0.4315
1.0491
0.4268
-3.6168
-4.2391
-3.6215
8
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3
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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
516
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
1
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
00000371E07BB0000400000000000000000000000000000000003C7881000000000000B1F400001E02100000000C1EE19E2633F6F7481400A003266264008288292127A00998203EEE988F2EA2C5FBDB87342A6EC01BDAE827B0D0B30E20400102000340004080020400068000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(2-chlorophenyl)morpholin-4-yl]-6,7-dimethoxy-quinazolin-4-amine
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(2-chlorophenyl)-4-morpholinyl]-6,7-dimethoxy-4-quinazolinamine
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(2-chlorophenyl)morpholin-4-yl]-6,7-dimethoxyquinazolin-4-amine
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[2-(2-chlorophenyl)morpholin-4-yl]-6,7-dimethoxy-quinazolin-4-amine
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
[2-[2-(2-chlorophenyl)morpholino]-6,7-dimethoxy-quinazolin-4-yl]amine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C20H21ClN4O3/c1-26-16-9-13-15(10-17(16)27-2)23-20(24-19(13)22)25-7-8-28-18(11-25)12-5-3-4-6-14(12)21/h3-6,9-10,18H,7-8,11H2,1-2H3,(H2,22,23,24)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
BFJFDEVXYWANEL-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
400.130218
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C20H21ClN4O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
400.85874
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOC(C3)C4=CC=CC=C4Cl)N)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCOC(C3)C4=CC=CC=C4Cl)N)OC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
82.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
400.130218
28
1
0
1
0
0
0
0
1
3