6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one

C12H12FNO2 — CID 142044531

IUPAC6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one
SMILESCOCc1cc2cc(F)ccc2n(C)c1=O
InChIInChI=1S/C12H12FNO2/c1-14-11-4-3-10(13)6-8(11)5-9(7-16-2)12(14)15/h3-6H,7H2,1-2H3
InChIKeyTWNOTPKJADXQGH-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.82
Rot. Bonds2

About 6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one

6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one (PubChem CID 142044531) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is 6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one
PubChem CID142044531
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one
SMILESCOCc1cc2cc(F)ccc2n(C)c1=O
InChIInChI=1S/C12H12FNO2/c1-14-11-4-3-10(13)6-8(11)5-9(7-16-2)12(14)15/h3-6H,7H2,1-2H3
InChIKeyTWNOTPKJADXQGH-UHFFFAOYSA-N
XLogP1.82
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-2-quinolone
CID 11820
1,4-Dimethyl-2-quinolone
CID 97252
3-Quinolinecarboxylic acid, 1,2-dihydro-4-chloro-1-methyl-2-oxo-, ethyl ester
CID 606180
Ethyl 2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 589276
Methyl 4-amino-1-octyl-2-oxoquinoline-3-carboxylate
CID 1952833
4-Ethyl-1,3-dimethyl-2(1H)-quinolinone
CID 27048
2(1H)-Quinolinone, 1-ethyl-
CID 104603
Methyl 4-amino-1-heptyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 1607557
Ethyl 4-chloro-2-oxo-1-pentylquinoline-3-carboxylate
CID 1896689
1(2H)-Quinolinecarboxylic acid, 2-methoxy-, ethyl ester
CID 89194
1-Methyl-2-oxo-1,2-dihydroquinoline-3-carbaldehyde
CID 4914628
N-(3-Fluoro-2-methylphenyl)-8-methoxy-6-oxo-2,3,4,6-tetrahydro-1H-quinolizine-9-carboxamide
CID 91904469

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one?
The IUPAC name of 6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one (CID 142044531) is 6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one.
What is the SMILES notation for 6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one?
The canonical SMILES for 6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one is COCc1cc2cc(F)ccc2n(C)c1=O.
What is the InChIKey of 6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one?
The InChIKey is TWNOTPKJADXQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-14-11-4-3-10(13)6-8(11)5-9(7-16-2)12(14)15/h3-6H,7H2,1-2H3.
What are the key properties of 6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one?
6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one has a molecular weight of 221.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(methoxymethyl)-1-methylquinolin-2-one is sourced from PubChem (CID 142044531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).