56593288
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8.2622
8.2622
3
4.732
4.732
3.866
4.732
3
2.5
2
3.866
5.5981
3.866
4.732
5.5981
3.866
5.5981
5.5981
4.732
6.492
6.492
3.866
7.3981
7.3981
3
3.866
2.134
3
2.134
9.1301
8.2583
2.134
2.8395
1.4174
1.8923
2.975
2.025
3.654
6.2087
5.8101
3.2554
5.8101
6.2087
3.2554
3.654
4.9441
5.3426
6.4848
6.4848
4.403
1.597
3
1.597
9.438
9.6682
8.8222
8.8783
8.2559
7.6383
2.444
1.597
1.824
1.4638
3.5121
-1.5121
0.4879
-1.5121
1.9879
3.4879
3.4879
4.354
3.4879
2.9879
-0.0121
-0.0121
1.4879
-1.0121
-1.0121
1.9879
2.9879
-2.5121
1.4533
3.5226
-3.0121
1.9671
3.0087
-2.5121
-4.0121
-3.0121
-4.5121
-4.0121
1.9604
4.5121
-1.0121
2.889
3.7
2.8774
4.7525
4.7525
0.5705
-0.1197
0.5705
-0.1197
-1.5947
-0.9044
-0.9044
-1.5947
-3.0947
-2.4044
0.8333
4.1426
-4.3221
-2.7021
-5.1321
-4.3221
1.4223
2.2684
2.4986
4.5145
5.1321
4.5097
-0.4751
-0.7021
-1.549
8
8
8
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
598
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
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07BB0000000000000000000000018000000000000003C7881000000000000B1F400001E00000000000D0CC19F0633F6F7081400A003266264008288292122A00998203EEC988D6EA2C4F9DB94342A6EC01BCAE827B0D0330E20400102000A40004080020400148000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-cyclopropyl-6,7-dimethoxy-4-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]quinazoline
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-cyclopropyl-6,7-dimethoxy-4-[4-[(2-methoxyphenyl)methyl]-1-piperazinyl]quinazoline
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-cyclopropyl-6,7-dimethoxy-4-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]quinazoline
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-cyclopropyl-6,7-dimethoxy-4-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]quinazoline
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
2-cyclopropyl-6,7-dimethoxy-4-(4-o-anisylpiperazino)quinazoline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C25H30N4O3/c1-30-21-7-5-4-6-18(21)16-28-10-12-29(13-11-28)25-19-14-22(31-2)23(32-3)15-20(19)26-24(27-25)17-8-9-17/h4-7,14-15,17H,8-13,16H2,1-3H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
UEXZCLTYAROOFY-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
434.231791
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C25H30N4O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
434.5307
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=CC=CC=C1CN2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5CC5
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=CC=CC=C1CN2CCN(CC2)C3=NC(=NC4=CC(=C(C=C43)OC)OC)C5CC5
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
434.231791
32
0
0
0
0
0
0
0
1
1