General Information of the Compound
Compound ID
CP0510183
Compound Name
2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide
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Structure
Formula
C19H19N5O2
Molecular Weight
349.394
Canonical SMILES
COc1cccc2c(nc(N)nc12)C(=O)N[C@H]1CCCc2cccnc12
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InChI
InChI=1S/C19H19N5O2/c1-26-14-9-3-7-12-16(14)23-19(20)24-17(12)18(25)22-13-8-2-5-11-6-4-10-21-15(11)13/h3-4,6-7,9-10,13H,2,5,8H2,1H3,(H,22,25)(H2,20,23,24)/t13-/m0/s1
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InChIKey
NHKVTQFWIUYQBM-ZDUSSCGKSA-N
Physicochemical Property
logP
2.423
Rotatable Bonds
3
Heavy Atom Count
26
Polar Areas
103.02
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 122444983
ChEMBL ID
CHEMBL3929822
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: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 180 nM
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