8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one

C17H13ClFNO2 — CID 134125548

IUPAC8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
SMILESCC1CC(=O)c2cccc(Cl)c2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13ClFNO2/c1-10-9-15(21)13-3-2-4-14(18)16(13)20(10)17(22)11-5-7-12(19)8-6-11/h2-8,10H,9H2,1H3
InChIKeyNYUNDYVCFCSNBU-UHFFFAOYSA-N
MW317.75 g/mol
LogP4.10
Rot. Bonds1

About 8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one

8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one (PubChem CID 134125548) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is 8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
PubChem CID134125548
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC Name8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
SMILESCC1CC(=O)c2cccc(Cl)c2N1C(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13ClFNO2/c1-10-9-15(21)13-3-2-4-14(18)16(13)20(10)17(22)11-5-7-12(19)8-6-11/h2-8,10H,9H2,1H3
InChIKeyNYUNDYVCFCSNBU-UHFFFAOYSA-N
XLogP4.10
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
CID 134094154
[5-chloro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-(4-fluorophenyl)methanone
CID 134125547
1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
CID 134103977
6-fluoro-2-methyl-1-(pyridine-4-carbonyl)-2,3-dihydroquinolin-4-one
CID 56695445
ethane;2-methyl-1-(4-phenoxybenzoyl)-2,3-dihydroquinolin-4-one
CID 142989768
6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
CID 134106081
(3S)-1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorobenzoyl)-3-methyl-3H-quinoxalin-2-one
CID 1474219
[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 50882847
(3,5-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]methanone
CID 134090751
6,7-difluoro-1-(4-fluorobenzoyl)-2-(trifluoromethyl)-2,3-dihydroquinolin-4-one
CID 134125542
[(2S,4R)-4-amino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 68923463
(3,4-dichlorophenyl)-[4-(4-fluorophenyl)imino-2-methyl-6-methylsulfanyl-2,3-dihydroquinolin-1-yl]methanone
CID 134096239

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one (CID 134125548) is 8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one is CC1CC(=O)c2cccc(Cl)c2N1C(=O)c1ccc(F)cc1.
What is the InChIKey of 8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is NYUNDYVCFCSNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c1-10-9-15(21)13-3-2-4-14(18)16(13)20(10)17(22)11-5-7-12(19)8-6-11/h2-8,10H,9H2,1H3.
What are the key properties of 8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one?
8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 317.75 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 134125548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).