17433488
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2.866
6.3301
4.5981
8.9282
8.0622
8.9282
5.4641
6.3301
4.5981
5.4641
7.1962
3.732
8.0622
2.866
3.732
2
2.866
9.7942
2
9.7942
8.9282
10.6882
10.6882
2
11.5942
11.5942
6.5422
6.9407
5.8626
5.0656
4.386
3.9875
5.0656
5.8626
7.5947
6.7976
4.269
1.4631
2.866
1.4631
10.681
10.681
2.31
1.4631
1.69
12.13
12.13
8.3913
9.4651
1.2327
1.2327
0.2327
1.7327
0.2327
-1.2673
1.7327
0.2327
1.2327
-0.2673
1.7327
-0.2673
1.2327
0.2327
-1.2673
-0.2673
-1.7673
1.2327
-1.2673
0.2327
-0.2673
1.7673
-0.302
1.7327
1.2535
0.2119
-0.3499
0.3403
2.2076
2.2076
1.8153
1.125
-0.7423
-0.7423
2.2076
2.2076
-1.5773
0.0427
-2.3873
-1.5773
2.3873
-0.922
2.2696
2.0427
1.1957
1.5656
-0.1002
-1.5773
-1.5773
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
442
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BA0000000000000000000000000000000000000003C7881000000000000B1F400001E00100000000C0CC19F0633F6F7481400A003266264008288292122A00998203F6C988E6EA2C4F9DB9534286CC013D8E82790C0000E00000000000210000000000000042000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinazolin-4-amine
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[[4-(2-methoxyphenyl)-1-piperazinyl]methyl]-4-quinazolinamine
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinazolin-4-amine
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]quinazolin-4-amine
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
[2-[[4-(2-methoxyphenyl)piperazino]methyl]quinazolin-4-yl]amine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C20H23N5O/c1-26-18-9-5-4-8-17(18)25-12-10-24(11-13-25)14-19-22-16-7-3-2-6-15(16)20(21)23-19/h2-9H,10-14H2,1H3,(H2,21,22,23)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
FCJLRADJSPIYQX-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
2.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
349.19026
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C20H23N5O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
349.42952
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC=CC=C1N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC=CC=C1N2CCN(CC2)CC3=NC4=CC=CC=C4C(=N3)N
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
67.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
349.19026
26
0
0
0
0
0
0
0
1
10