General Information of the Compound
Compound ID
CP0542077
Compound Name
4-propyl-1,4-dihydroquinazolin-2-amine
    Show/Hide
Synonyms
4-propyl-3,4-dihydroquinazolin-2-amine
CHEMBL270840
    Show/Hide
Structure
Formula
C11H15N3
Molecular Weight
189.262
Canonical SMILES
CCCC1NC(N)=Nc2ccccc12
    Show/Hide
InChI
InChI=1S/C11H15N3/c1-2-5-9-8-6-3-4-7-10(8)14-11(12)13-9/h3-4,6-7,9H,2,5H2,1H3,(H3,12,13,14)
    Show/Hide
InChIKey
GMMVLHFFOQJVPH-UHFFFAOYSA-N
Physicochemical Property
logP
2.0772
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
50.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
14

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44455983
ChEMBL ID
CHEMBL270840
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: PT01513, 5-hydroxytryptamine receptor 5A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 805 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-propyl-3,4-dihydroquinazolin-2-amine )
Drug Name 4-propyl-3,4-dihydroquinazolin-2-amine
Target(s)
5-HT 5A receptor (HTR5A)
Inhibitor