69667344
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6.3301
13.3089
9.8602
9.8602
11.5807
6.3301
5.4641
4.5981
10.7166
11.5769
12.4487
10.7205
12.441
13.3128
9.8564
8.9962
8.9962
8.0901
7.1962
7.1962
8.0901
6.3301
5.4641
3.732
9.8564
3.732
2.866
2.866
2
2
10.1065
10.5023
10.9667
11.3626
12.849
12.052
11.3307
10.9348
12.0406
12.8377
13.9229
13.5271
9.2462
9.6421
8.0829
8.0829
4.5981
10.4764
9.854
9.2364
4.269
2.866
2.866
1.4631
1.4631
-0.245
-3.2825
0.7308
2.7791
-2.2758
2.755
1.255
2.755
-1.7725
-3.2758
-1.7792
-0.7725
-3.7791
-2.2825
-0.2691
1.2342
2.2758
0.7203
1.255
2.255
2.7897
0.755
2.255
2.255
3.7791
1.255
2.755
0.755
2.255
1.255
-1.6625
-2.3543
-3.1658
-3.8576
-1.3057
-1.3027
-0.8825
-0.1907
-4.2525
-4.2556
-2.3925
-1.7007
-0.1591
-0.8509
0.1004
3.4096
3.375
3.7815
4.3991
3.7768
0.945
3.375
0.135
2.565
0.945
8
8
8
8
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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
505
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
8
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
00000371E07BB1000000000000000000000000000000000000003C7881000000000000B1F400001F00100000000C0CE19E0E33D6F7C81400A003246264008288292122A00998203EEC988F2EA2C4F9DB873C2AEED01BDAE827B0D0130E20400102000240004080020400048000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-fluoro-7-methoxy-6-(3-morpholinopropoxy)-N-phenyl-quinazolin-2-amine
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-fluoro-7-methoxy-6-[3-(4-morpholinyl)propoxy]-N-phenyl-2-quinazolinamine
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-fluoro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
4-fluoranyl-7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenyl-quinazolin-2-amine
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
[4-fluoro-7-methoxy-6-(3-morpholinopropoxy)quinazolin-2-yl]-phenyl-amine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C22H25FN4O3/c1-28-19-15-18-17(14-20(19)30-11-5-8-27-9-12-29-13-10-27)21(23)26-22(25-18)24-16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13H2,1H3,(H,24,25,26)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
OYRHLPGMZZDDMJ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
412.191069
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C22H25FN4O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
412.457303
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=C(C=C2C(=C1)N=C(N=C2F)NC3=CC=CC=C3)OCCCN4CCOCC4
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=C(C=C2C(=C1)N=C(N=C2F)NC3=CC=CC=C3)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
412.191069
30
0
0
0
0
0
0
0
1
4