69150168
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255
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9.8602
9.8602
6.3301
4.5981
5.4641
6.3301
5.4641
5.4641
4.5981
6.3301
7.1962
7.1962
7.1962
8.0901
3.732
5.4641
8.0901
8.9962
5.4641
8.9962
4.5981
4.5981
3.732
10.7282
9.8564
2.866
3.732
2
2.866
2
5.252
4.8535
5.6762
6.0747
4.386
3.9875
6.8862
7.7331
7.5062
8.0829
5.1541
6.001
5.7741
3.422
3.1951
4.042
8.0829
4.0611
5.135
11.0361
11.2663
10.4203
10.4764
9.854
9.2364
2.866
4.269
1.4631
2.866
1.4631
-0.2742
1.7742
-1.25
-4.25
0.25
1.75
-1.75
-2.75
-3.25
-0.25
0.25
-1.75
1.25
-0.2847
-4.75
-4.75
1.7847
0.2292
1.25
1.2708
1.75
2.75
3.25
0.2225
2.7741
2.75
4.25
3.25
4.75
4.25
-1.1674
-1.8577
-3.3326
-2.6423
-2.6674
-3.3577
-2.2869
-2.06
-1.2131
-0.9046
-5.2869
-5.06
-4.2131
-4.2131
-5.06
-5.2869
2.4046
1.44
3.06
-0.3156
0.5304
0.7606
2.7765
3.3941
2.7718
2.13
4.56
2.94
5.37
4.56
8
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1
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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
523
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
0
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
9
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07BB0000000000000000000000000000000000000003C6080000000000000B1F400001E00000000000C0CC19F0633F6F7081400A003266264008288292122A00998203EEC988D2EA2C4F9DB84342A6EC01BCAE827B0D0130E20400102000240004080020400048000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
N'-(6,7-dimethoxy-2-styryl-quinazolin-4-yl)-N,N,N'-trimethyl-propane-1,3-diamine
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
N'-[6,7-dimethoxy-2-(2-phenylethenyl)-4-quinazolinyl]-N,N,N'-trimethylpropane-1,3-diamine
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
N'-[6,7-dimethoxy-2-(2-phenylethenyl)quinazolin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
N'-[6,7-dimethoxy-2-(2-phenylethenyl)quinazolin-4-yl]-N,N,N'-trimethyl-propane-1,3-diamine
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
(6,7-dimethoxy-2-styryl-quinazolin-4-yl)-[3-(dimethylamino)propyl]-methyl-amine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C24H30N4O2/c1-27(2)14-9-15-28(3)24-19-16-21(29-4)22(30-5)17-20(19)25-23(26-24)13-12-18-10-7-6-8-11-18/h6-8,10-13,16-17H,9,14-15H2,1-5H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
IBHMQWMPFWMAQZ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
4.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
406.236876
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C24H30N4O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
406.5206
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CN(C)CCCN(C)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C=CC3=CC=CC=C3
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CN(C)CCCN(C)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C=CC3=CC=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
50.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
406.236876
30
0
0
0
1
0
1
0
1
1