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

C22H19F3N2O — CID 167960427

IUPAC(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone
SMILESCCc1ccc2c(c1)CCCN2C(=O)c1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C22H19F3N2O/c1-2-14-9-10-19-15(12-14)6-5-11-27(19)21(28)17-13-20(22(23,24)25)26-18-8-4-3-7-16(17)18/h3-4,7-10,12-13H,2,5-6,11H2,1H3
InChIKeyMPWLKHNUUAWLEX-UHFFFAOYSA-N
MW384.40 g/mol
LogP5.41
Rot. Bonds2

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

(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone (PubChem CID 167960427) has the molecular formula C22H19F3N2O and a molecular weight of 384.40 g/mol. Its IUPAC name is (6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone.

Molecular Properties

Compound Name(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone
PubChem CID167960427
Molecular FormulaC22H19F3N2O
Molecular Weight384.40 g/mol
Exact Mass384.14
IUPAC Name(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone
SMILESCCc1ccc2c(c1)CCCN2C(=O)c1cc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C22H19F3N2O/c1-2-14-9-10-19-15(12-14)6-5-11-27(19)21(28)17-13-20(22(23,24)25)26-18-8-4-3-7-16(17)18/h3-4,7-10,12-13H,2,5-6,11H2,1H3
InChIKeyMPWLKHNUUAWLEX-UHFFFAOYSA-N
XLogP5.41
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylquinolin-4-yl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840743
(2-methylquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60530096
cyclohexane;4-(4-ethylphenyl)butanamide;2-(trifluoromethyl)quinolin-4-amine
CID 163228896
(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylphenyl)methanone
CID 47168679
[4-(benzotriazol-1-ylmethyl)phenyl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31844373
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823
[6-[2-[benzyl(methyl)amino]-1-hydroxyethyl]-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone
CID 16672039
N-(4-ethylphenyl)-1-(4-fluorobenzoyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248111
(3-hydroxyquinolin-4-yl)-(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 71911434
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-ethylquinazolin-4-one
CID 860000
1-benzofuran-2-yl-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31841014
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 55581576

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone?
The IUPAC name of (6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone (CID 167960427) is (6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone.
What is the SMILES notation for (6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone?
The canonical SMILES for (6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone is CCc1ccc2c(c1)CCCN2C(=O)c1cc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of (6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone?
The InChIKey is MPWLKHNUUAWLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O/c1-2-14-9-10-19-15(12-14)6-5-11-27(19)21(28)17-13-20(22(23,24)25)26-18-8-4-3-7-16(17)18/h3-4,7-10,12-13H,2,5-6,11H2,1H3.
What are the key properties of (6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone?
(6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone has a molecular weight of 384.40 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-3,4-dihydro-2H-quinolin-1-yl)-[2-(trifluoromethyl)quinolin-4-yl]methanone is sourced from PubChem (CID 167960427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).