General Information of the Compound
Compound ID
CP0280284
Compound Name
2,2,4-Trimethyl-6-phenyl-1,2-dihydro-quinoline
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Synonyms
1,2-Dihydro-2,2,4-trimethyl-6-phenylquinoline
2,2,4-Trimethyl-6-phenyl-1,2-dihydro-quinoline
2,2,4-Trimethyl-6-phenyl-1,2-dihydroquinoline
2,2,4-trimethyl-6-phenyl-1H-quinoline
3562-69-4
4-20-00-04116 (Beilstein Handbook Reference)
6-Phenyl-2,2,4-trimethyldihydroquinoline
AC1L2SCX
ACM3562694
BDBM50066527
BRN 0185528
CHEMBL93463
DTXSID30189094
LS-141859
Quinoline, 1,2-dihydro-2,2,4-trimethyl-6-phenyl-
SCHEMBL311413
Santoflex B
UNII-UT9B2V4JD4
USAF B-29
UT9B2V4JD4
ZINC5315096
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Structure
Formula
C18H19N
Molecular Weight
249.357
Canonical SMILES
CC1=CC(C)(C)Nc2ccc(cc12)-c1ccccc1
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InChI
InChI=1S/C18H19N/c1-13-12-18(2,3)19-17-10-9-15(11-16(13)17)14-7-5-4-6-8-14/h4-12,19H,1-3H3
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InChIKey
XKBGEVHKVFIMLY-UHFFFAOYSA-N
CAS
3562-69-4
Physicochemical Property
logP
4.961
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
12.03
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
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: 77098
ChEMBL ID
CHEMBL93463
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: PT01172, Progesterone receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000044 CV-1
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
IC50 = 783 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 131.83 nM
2 Ki = 133 nM
Clinical Information about the Compound
Drug 1 ( 2,2,4-Trimethyl-6-phenyl-1,2-dihydro-quinoline )
Drug Name 2,2,4-Trimethyl-6-phenyl-1,2-dihydro-quinoline
Target(s)
Progesterone receptor (PGR)
 Target Info 
Inhibitor