General Information of the Compound
Compound ID
CP0130624
Compound Name
4,6,8,8-Tetramethyl-8,9-dihydro-1H-pyrido[3,2-g]quinolin-2-one
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Structure
Formula
C16H18N2O
Molecular Weight
254.333
Canonical SMILES
CC1=CC(C)(C)Nc2cc3[nH]c(=O)cc(C)c3cc12
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InChI
InChI=1S/C16H18N2O/c1-9-5-15(19)17-13-7-14-12(6-11(9)13)10(2)8-16(3,4)18-14/h5-8,18H,1-4H3,(H,17,19)
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InChIKey
UOYTXPZOHZGXMV-UHFFFAOYSA-N
Physicochemical Property
logP
3.44392
Rotatable Bonds
0
Heavy Atom Count
19
Polar Areas
44.89
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 10610968
SID: 15640910
ChEMBL ID
CHEMBL346487
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: PT00894, Androgen receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 36 nM
   TI
   LI
   LO
   TS
CL000109 COS-1 Chlorocebus aethiops (Green monkey)  1
1
Ki = 62 nM
   TI
   LI
   LO
   TS
Protein ID: PT01172, Progesterone receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1 Chlorocebus aethiops (Green monkey)  1
1
IC50 = 109 nM
   TI
   LI
   LO
   TS