6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one

C18H14F3NO2 — CID 110634868

IUPAC6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one
SMILESCc1ccc2c(c1)C(=O)CCN2C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3NO2/c1-11-2-7-15-14(10-11)16(23)8-9-22(15)17(24)12-3-5-13(6-4-12)18(19,20)21/h2-7,10H,8-9H2,1H3
InChIKeyBKDUFTDAFCQSPC-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.25
Rot. Bonds1

About 6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one

6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one (PubChem CID 110634868) has the molecular formula C18H14F3NO2 and a molecular weight of 333.31 g/mol. Its IUPAC name is 6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one
PubChem CID110634868
Molecular FormulaC18H14F3NO2
Molecular Weight333.31 g/mol
Exact Mass333.10
IUPAC Name6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one
SMILESCc1ccc2c(c1)C(=O)CCN2C(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H14F3NO2/c1-11-2-7-15-14(10-11)16(23)8-9-22(15)17(24)12-3-5-13(6-4-12)18(19,20)21/h2-7,10H,8-9H2,1H3
InChIKeyBKDUFTDAFCQSPC-UHFFFAOYSA-N
XLogP4.25
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromobenzoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634836
1-(4-aminobenzoyl)-7-methyl-3,4-dihydro-2H-1-benzazepin-5-one
CID 19607937
6-methyl-1-(pyridine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110634863
6-methyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 110634843
ethyl 6-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
CID 110406411
1-(cyclopropanecarbonyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634817
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
1-(2-ethylbutanoyl)-6-methyl-2,3-dihydroquinolin-4-one
CID 110634824
(4-fluorophenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31839765
(7-methyl-2,3-dihydroindol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 112835706
[4-(2-hydroxy-4-methylbenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 38583412
6-methyl-1-(3-phenylpropanoyl)-2,3-dihydroquinolin-4-one
CID 110634848

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one (CID 110634868) is 6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one is Cc1ccc2c(c1)C(=O)CCN2C(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one?
The InChIKey is BKDUFTDAFCQSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3NO2/c1-11-2-7-15-14(10-11)16(23)8-9-22(15)17(24)12-3-5-13(6-4-12)18(19,20)21/h2-7,10H,8-9H2,1H3.
What are the key properties of 6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one?
6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one has a molecular weight of 333.31 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[4-(trifluoromethyl)benzoyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 110634868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).