69933630
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10.6535
2
7.1962
7.1962
3.732
10.6766
10.6882
11.5942
4.5981
3.732
2.866
5.4641
2.866
2
6.3301
8.0622
9.7942
8.9282
8.0622
9.7942
8.9282
10.6882
11.5368
11.5942
7.1962
11.5252
12.4085
12.3854
13.2687
13.2572
4.9966
4.1996
3.9441
4.3426
3.2646
2.4675
5.0656
5.8626
2.4675
3.2646
1.788
1.3894
6.7287
5.9316
8.9282
8.9282
10.1361
12.13
12.4157
7.8162
7.1962
6.5762
12.3782
13.8092
13.7905
-3.0072
-0.9728
0.0272
2.0272
0.0272
-1.0074
2.0619
0.5064
0.5272
-0.9728
0.5272
0.0272
-1.4728
0.0272
0.5272
0.5272
0.5272
0.0272
1.5272
1.5272
2.0272
-0.0074
-1.5173
1.5481
3.0272
-2.5173
-1.0274
-3.0272
-1.5374
-2.5373
1.0022
1.0022
-1.5554
-0.8651
1.0022
1.0022
-0.4477
-0.4477
-1.9477
-1.9477
0.6099
-0.0804
1.0022
1.0022
-0.5928
2.6472
-1.3111
1.8601
-0.4074
3.0272
3.6472
3.0272
-3.6472
-1.2336
-2.8535
8
8
8
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16
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
511
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
7
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
8
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07BB0000400000000000000000000000000000000003C7881000000000000B1F400001E02100000000C0EE19E2637F6F7C81400A003266364008288293127A009D8203EEE988F2EE2C5FBDBC73C2AEED01BDAE827B0D0130E20400102000240104080020400048020000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(2-chlorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(2-chlorophenyl)-7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(2-chlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N-(2-chlorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
(2-chlorophenyl)-[7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-yl]amine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C22H25ClN4O3/c1-28-20-14-19-16(13-21(20)30-10-4-7-27-8-11-29-12-9-27)22(25-15-24-19)26-18-6-3-2-5-17(18)23/h2-3,5-6,13-15H,4,7-12H2,1H3,(H,24,25,26)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
ARTSOAZHZLUJEE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
428.161518
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C22H25ClN4O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
428.9119
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC=C3Cl)OCCCN4CCOCC4
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC=C3Cl)OCCCN4CCOCC4
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
68.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
428.161518
30
0
0
0
0
0
0
0
1
3