(2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

C21H17F3N2O — CID 31840743

IUPAC(2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c2ccccc2n1
InChIInChI=1S/C21H17F3N2O/c1-13-11-17(16-6-2-3-7-18(16)25-13)20(27)26-10-4-5-14-12-15(21(22,23)24)8-9-19(14)26/h2-3,6-9,11-12H,4-5,10H2,1H3
InChIKeyLBAOSHAWPCDKLA-UHFFFAOYSA-N
MW370.37 g/mol
LogP5.16
Rot. Bonds1

About (2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone

(2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (PubChem CID 31840743) has the molecular formula C21H17F3N2O and a molecular weight of 370.37 g/mol. Its IUPAC name is (2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
PubChem CID31840743
Molecular FormulaC21H17F3N2O
Molecular Weight370.37 g/mol
Exact Mass370.13
IUPAC Name(2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c2ccccc2n1
InChIInChI=1S/C21H17F3N2O/c1-13-11-17(16-6-2-3-7-18(16)25-13)20(27)26-10-4-5-14-12-15(21(22,23)24)8-9-19(14)26/h2-3,6-9,11-12H,4-5,10H2,1H3
InChIKeyLBAOSHAWPCDKLA-UHFFFAOYSA-N
XLogP5.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone with MolForge

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Related Compounds

(2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60530096
(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone
CID 167960427
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55581576
(5-methylimidazo[1,2-a]pyridin-2-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55582024
1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31841014
2,3-dihydroindol-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 664825
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
thiophen-3-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31843246
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840032
[4-(benzotriazol-1-ylmethyl)phenyl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31844373
(3,4-dimethoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840202

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The IUPAC name of (2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone (CID 31840743) is (2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone.
What is the SMILES notation for (2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The canonical SMILES for (2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is Cc1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)c2ccccc2n1.
What is the InChIKey of (2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
The InChIKey is LBAOSHAWPCDKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O/c1-13-11-17(16-6-2-3-7-18(16)25-13)20(27)26-10-4-5-14-12-15(21(22,23)24)8-9-19(14)26/h2-3,6-9,11-12H,4-5,10H2,1H3.
What are the key properties of (2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone?
(2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone has a molecular weight of 370.37 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone is sourced from PubChem (CID 31840743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).