17967774
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255
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4.5981
4.5981
6.3301
8.0622
7.1962
8.0622
4.5981
5.4641
5.4641
6.3301
3.732
7.1962
3.732
2.866
8.9282
8.9282
2.866
8.0622
2
2
9.8222
9.8222
10.7282
10.7282
4.5981
5.8626
5.0656
3.9875
4.386
6.9407
6.5422
5.0656
5.8626
2.866
2.866
1.4631
1.4631
9.815
9.815
11.2639
11.2639
7.5252
8.5991
5.2181
4.5981
3.9781
2.655
0.655
-0.345
-0.345
-1.845
-3.345
-0.345
1.155
-0.845
0.655
1.155
-0.845
2.155
0.655
-0.845
-1.845
2.655
-2.345
1.155
2.155
-0.3103
-2.3797
-0.8242
-1.8658
3.655
1.63
1.63
-0.2373
-0.9276
0.5473
1.2376
-1.32
-1.32
0.035
3.275
0.845
2.465
0.3096
-2.9996
-0.5121
-2.1779
-3.655
-3.655
3.655
4.275
3.655
8
8
8
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8
8
8
8
8
4
4
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5
11
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23
12
15
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24
0
Compound
Canonicalized
5
2010.07.16
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
428
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
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BA0000000000000000000000000000000000000003C7881000000000000B1F400001E00100000000C0CC19E0633F6F7481400A003266264008288292122A00998203F6C988E6EA2C4F9DB9534286CC013D8E82790C0000E00000000000210000000000000042000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[4-(2-methoxyphenyl)-1-piperazinyl]-4-quinazolinamine
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
[2-[4-(2-methoxyphenyl)piperazino]quinazolin-4-yl]amine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C19H21N5O/c1-25-17-9-5-4-8-16(17)23-10-12-24(13-11-23)19-21-15-7-3-2-6-14(15)18(20)22-19/h2-9H,10-13H2,1H3,(H2,20,21,22)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
NRVJKOIYNBSQKI-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
335.17461
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C19H21N5O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
335.40294
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4C(=N3)N
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC=CC=C1N2CCN(CC2)C3=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
335.17461
25
0
0
0
0
0
0
0
1
3