56593293
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2.866
8.1282
8.1282
4.5981
4.5981
3.732
4.5981
3.732
5.4641
5.4641
3.732
4.5981
4.5981
5.4641
3.732
5.4641
5.4641
6.358
3.732
6.358
3.732
7.2641
5.4641
2.866
7.2641
4.5981
2.866
2
8.9962
8.1244
3.52
3.1215
6.0747
5.6762
3.1215
3.52
5.6762
6.0747
6.001
6.3509
6.3509
3.1951
6.001
2.2554
2.654
4.5981
3.486
2.866
2.246
1.69
1.4631
2.31
9.3041
9.5343
8.6882
8.7443
8.122
7.5044
-2.5121
1.4638
3.5121
0.4879
-1.5121
1.9879
3.4879
-0.0121
-0.0121
-1.0121
-1.0121
1.4879
-2.5121
1.9879
-3.0121
2.9879
-3.0121
1.4533
2.9879
3.5226
-4.0121
1.9671
-4.0121
3.4879
3.0087
-4.5121
4.4879
-3.0121
1.9604
4.5121
0.5705
-0.1197
-0.1197
0.5705
-0.9044
-1.5947
-1.5947
-0.9044
-2.7021
0.8333
4.1426
-4.3221
-4.3221
3.5956
2.9053
-5.1321
4.4879
5.1079
4.4879
-2.4751
-3.3221
-3.549
1.4223
2.2684
2.4986
4.5145
5.1321
4.5097
8
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0
Compound
Canonicalized
5
2012.01.18
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
531
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
0
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C0CC19F0633F6F7081400A003266264008288292122A00998203FEC988F6EA2C4F9DB95342A6EC01BDAE827B0D0130E2040010200025000408002040004A000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-ethyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-ethyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]quinazoline
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-ethyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-ethyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-ethyl-6,7-dimethoxy-4-[4-(2-methoxyphenyl)piperazino]quinazoline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C23H28N4O3/c1-5-22-24-17-15-21(30-4)20(29-3)14-16(17)23(25-22)27-12-10-26(11-13-27)18-8-6-7-9-19(18)28-2/h6-9,14-15H,5,10-13H2,1-4H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
PDEAKHQWPNWDTL-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
4.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
408.216141
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C23H28N4O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
408.49342
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CCC1=NC2=CC(=C(C=C2C(=N1)N3CCN(CC3)C4=CC=CC=C4OC)OC)OC
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CCC1=NC2=CC(=C(C=C2C(=N1)N3CCN(CC3)C4=CC=CC=C4OC)OC)OC
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
60
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
408.216141
30
0
0
0
0
0
0
0
1
4