General Information of the Compound
Compound ID
CP0416757
Compound Name
N-(2-methoxyphenyl)-2-piperazin-1-ylquinazolin-4-amine
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Structure
Formula
C19H21N5O
Molecular Weight
335.411
Canonical SMILES
COc1ccccc1Nc1nc(nc2ccccc12)N1CCNCC1
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InChI
InChI=1S/C19H21N5O/c1-25-17-9-5-4-8-16(17)21-18-14-6-2-3-7-15(14)22-19(23-18)24-12-10-20-11-13-24/h2-9,20H,10-13H2,1H3,(H,21,22,23)
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InChIKey
CXEHMADGEZJANZ-UHFFFAOYSA-N
Physicochemical Property
logP
2.7916
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
62.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 122187397
ChEMBL ID
CHEMBL3609169
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 45.77 nM
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