3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one

C12H12FNO3 — CID 141228564

IUPAC3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(F)c(C)c2cc1OC
InChIInChI=1S/C12H12FNO3/c1-6-7-4-9(16-2)10(17-3)5-8(7)14-12(15)11(6)13/h4-5H,1-3H3,(H,14,15)
InChIKeyJLOXZUWVSOJUBW-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.99
Rot. Bonds2

About 3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one

3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one (PubChem CID 141228564) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one
PubChem CID141228564
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)c(F)c(C)c2cc1OC
InChIInChI=1S/C12H12FNO3/c1-6-7-4-9(16-2)10(17-3)5-8(7)14-12(15)11(6)13/h4-5H,1-3H3,(H,14,15)
InChIKeyJLOXZUWVSOJUBW-UHFFFAOYSA-N
XLogP1.99
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one?
The IUPAC name of 3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one (CID 141228564) is 3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one is COc1cc2[nH]c(=O)c(F)c(C)c2cc1OC.
What is the InChIKey of 3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one?
The InChIKey is JLOXZUWVSOJUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-6-7-4-9(16-2)10(17-3)5-8(7)14-12(15)11(6)13/h4-5H,1-3H3,(H,14,15).
What are the key properties of 3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one?
3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one has a molecular weight of 237.23 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-6,7-dimethoxy-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 141228564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).