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5.2677
3.135
10.1292
10.1292
3.135
4.8671
6.5991
5.7331
6.5991
3.135
4.001
4.001
4.8671
2.269
5.7331
2.269
1.403
7.4651
7.4651
6.5991
1.403
0.5369
0.5369
8.3591
8.3591
9.2652
9.2652
3.135
10.1254
10.9972
2.5244
2.923
4.3996
3.6025
3.6025
4.3996
5.4776
5.0791
1.403
1.403
0
0
8.3519
8.3519
6.0622
7.136
3.755
3.135
2.515
10.7454
10.123
9.5054
11.3051
11.5353
10.6893
6.2677
0
8.8263
5.8504
3.8021
6.8263
5.8263
5.8263
4.3263
2.8263
5.8263
7.3263
5.3263
6.8263
7.3263
5.3263
8.3263
6.8263
5.3263
4.3263
3.8263
8.8263
7.3263
8.3263
5.8609
3.7916
5.3471
4.3055
9.8263
6.8504
4.2988
5.9339
5.2436
7.8012
7.8012
4.8513
4.8513
6.7186
7.4089
6.2063
9.4463
7.0163
8.6363
6.4809
3.1716
2.5163
2.5163
9.8263
10.4463
9.8263
6.8528
7.4704
6.848
3.7606
4.6067
4.8369
0
8
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8
14
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
519
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
2
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371E07BB0000400000000000000000000000000000000003C7881000000000000B1F400001E00100000000C0CC19E0633F6F7481400A003266264008288292122A00998203FEC988F6EA2C4F9DB95342A6EC01BDAE827B0D0130E2040010200025000408002040004A000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
6,7-dimethoxy-2-[4-(2-methoxyphenyl)-1-piperazinyl]-4-quinazolinamine;hydrochloride
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
[6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazino]quinazolin-4-yl]amine;hydrochloride
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C21H25N5O3.ClH/c1-27-17-7-5-4-6-16(17)25-8-10-26(11-9-25)21-23-15-13-19(29-3)18(28-2)12-14(15)20(22)24-21;/h4-7,12-13H,8-11H2,1-3H3,(H2,22,23,24);1H
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
UDXYFDHWPFYKJT-UHFFFAOYSA-N
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
431.172417
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C21H26ClN5O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
431.91584
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC.Cl
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
COC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC.Cl
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
86
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
431.172417
30
0
0
0
0
0
0
0
2
3