1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one

C17H13ClFNO2 — CID 134094154

IUPAC1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
SMILESCC1CC(=O)c2cc(F)ccc2N1C(=O)c1ccccc1Cl
InChIInChI=1S/C17H13ClFNO2/c1-10-8-16(21)13-9-11(19)6-7-15(13)20(10)17(22)12-4-2-3-5-14(12)18/h2-7,9-10H,8H2,1H3
InChIKeyAGAINLQEKYBOQM-UHFFFAOYSA-N
MW317.75 g/mol
LogP4.10
Rot. Bonds1

About 1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one

1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one (PubChem CID 134094154) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
PubChem CID134094154
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC Name1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
SMILESCC1CC(=O)c2cc(F)ccc2N1C(=O)c1ccccc1Cl
InChIInChI=1S/C17H13ClFNO2/c1-10-8-16(21)13-9-11(19)6-7-15(13)20(10)17(22)12-4-2-3-5-14(12)18/h2-7,9-10H,8H2,1H3
InChIKeyAGAINLQEKYBOQM-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

6-fluoro-2-methyl-1-(pyridine-4-carbonyl)-2,3-dihydroquinolin-4-one
CID 56695445
1-(4-ethylbenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
CID 134103977
6-fluoro-1-(3-fluoro-4-iodobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
CID 134106081
8-chloro-1-(4-fluorobenzoyl)-2-methyl-2,3-dihydroquinolin-4-one
CID 134125548
(2,5-dichlorophenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4181075
(2,5-dichlorophenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 29176451
(4R)-5-(2,4-difluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 6931585
(2-chloro-5-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 106501267
[6-fluoro-4-(4-fluorophenyl)imino-2-methyl-2,3-dihydroquinolin-1-yl]-pyridin-4-ylmethanone
CID 171984661
1-acetyl-2-methyl-4-oxo-2,3-dihydroquinoline-6-carboxylic acid
CID 90293354
(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
CID 133239491
5-(2-fluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 44615674

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one (CID 134094154) is 1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one is CC1CC(=O)c2cc(F)ccc2N1C(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is AGAINLQEKYBOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c1-10-8-16(21)13-9-11(19)6-7-15(13)20(10)17(22)12-4-2-3-5-14(12)18/h2-7,9-10H,8H2,1H3.
What are the key properties of 1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one?
1-(2-chlorobenzoyl)-6-fluoro-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 1-(2-chlorobenzoyl)-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 134094154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).