21002833
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5
255
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2.866
8.1282
4.5981
4.5981
3.732
4.5981
3.732
5.4641
3.732
5.4641
4.5981
4.5981
5.4641
3.732
5.4641
5.4641
6.358
3.732
5.4641
6.358
4.5981
3.732
7.2641
7.2641
2
8.9962
6.0747
5.6762
3.52
3.1215
3.1215
3.52
5.6762
6.0747
6.001
6.3509
3.1951
6.001
6.3509
3.1951
4.5981
7.7998
1.69
1.4631
2.31
9.3041
9.5343
8.6882
-2.0173
1.9585
0.9827
-1.0173
2.4827
3.9827
0.4827
0.4827
-0.5173
-0.5173
1.9827
-2.0173
2.4827
-2.5173
-2.5173
3.4827
1.948
-3.5173
-3.5173
4.0173
-4.0173
3.4827
2.4618
3.5035
-2.5173
2.4552
0.375
1.0653
1.0653
0.375
-0.4097
-1.0999
-1.0999
-0.4097
-2.2073
1.328
-3.8273
-3.8273
4.6373
3.7927
-4.6373
3.8156
-1.9804
-2.8273
-3.0543
1.917
2.7631
2.9933
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
5
5
6
6
11
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12
13
13
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18
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23
11
22
16
22
13
14
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21
24
24
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
444
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
0
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
00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C0CC19E0637F6F7081400A003266364008288293122A009D8203F6C988E6EA2C4F9DB9534286CC013D8E827B0C0100E00400100000210000080020000042000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-methoxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]quinazoline
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
6-methoxy-4-[4-(2-methoxyphenyl)piperazino]quinazoline
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C20H22N4O2/c1-25-15-7-8-17-16(13-15)20(22-14-21-17)24-11-9-23(10-12-24)18-5-3-4-6-19(18)26-2/h3-8,13-14H,9-12H2,1-2H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
SIWDTVXYTYLHEW-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.5
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
350.174276
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C20H22N4O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
350.41428
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)C4=CC=CC=C4OC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
50.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
350.174276
26
0
0
0
0
0
0
0
1
1