General Information of the Compound
Compound ID
CP0471140
Compound Name
5,7-dimethoxy-3-methyl-3-phenylquinoline-2,4(1H,3H)-dione
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Structure
Formula
C18H17NO4
Molecular Weight
311.337
Canonical SMILES
COc1cc2NC(=O)C(C)(C(=O)c2c(OC)c1)c1ccccc1
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InChI
InChI=1S/C18H17NO4/c1-18(11-7-5-4-6-8-11)16(20)15-13(19-17(18)21)9-12(22-2)10-14(15)23-3/h4-10H,1-3H3,(H,19,21)
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InChIKey
JAZAKAQKSVJPJP-UHFFFAOYSA-N
Physicochemical Property
logP
2.7965
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
64.63
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
23

"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: 11515129
SID: 16617100
ChEMBL ID
CHEMBL404552
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 728 nM
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