1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one

C17H13ClFNO — CID 39767907

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one
SMILESCc1cc(=O)n(Cc2c(F)cccc2Cl)c2ccccc12
InChIInChI=1S/C17H13ClFNO/c1-11-9-17(21)20(16-8-3-2-5-12(11)16)10-13-14(18)6-4-7-15(13)19/h2-9H,10H2,1H3
InChIKeyFWAWRQHBMWOJPM-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.15
Rot. Bonds2

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one

1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one (PubChem CID 39767907) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one
PubChem CID39767907
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one
SMILESCc1cc(=O)n(Cc2c(F)cccc2Cl)c2ccccc12
InChIInChI=1S/C17H13ClFNO/c1-11-9-17(21)20(16-8-3-2-5-12(11)16)10-13-14(18)6-4-7-15(13)19/h2-9H,10H2,1H3
InChIKeyFWAWRQHBMWOJPM-UHFFFAOYSA-N
XLogP4.15
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(2,4,5-trimethylphenyl)sulfonylpiperidin-4-yl]indole
CID 46323086
1-(3-chlorobut-2-enyl)-4-methylquinolin-2-one
CID 3722733
N-(2,3-dichlorophenyl)-2-(4-methyl-2-oxoquinolin-1-yl)acetamide
CID 39767922
3-[(2-chloro-6-fluorophenyl)methyl]-2-methylsulfanyl-6-phenylpyrimidin-4-one
CID 7748257
1-[(2-chloro-6-fluorophenyl)methyl]benzimidazole-2-carbaldehyde
CID 53262926
1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one
CID 39768066
1-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-[1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]indole
CID 53027606
1-[(2-chloro-6-fluorophenyl)methyl]-3-[1-(5-fluoro-2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-2-methylindole
CID 53027620
1-[3-(4-chlorophenoxy)propyl]-4-methylquinolin-2-one
CID 39768018
1-(2-amino-2-methylpropyl)-4-methylquinolin-2-one
CID 82167951
3-[(2-chloro-6-fluorophenyl)methyl]-4-hydroxy-1H-imidazol-2-one
CID 91385427
1-[(2-chloro-6-fluorophenyl)methyl]-2-(2-fluorophenyl)benzimidazole
CID 19243364

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one (CID 39767907) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one is Cc1cc(=O)n(Cc2c(F)cccc2Cl)c2ccccc12.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one?
The InChIKey is FWAWRQHBMWOJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c1-11-9-17(21)20(16-8-3-2-5-12(11)16)10-13-14(18)6-4-7-15(13)19/h2-9H,10H2,1H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one?
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one has a molecular weight of 301.75 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylquinolin-2-one is sourced from PubChem (CID 39767907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).