8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one

C11H9ClFNO2 — CID 62318813

IUPAC8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
SMILESCOCc1cc(=O)c2cc(F)cc(Cl)c2[nH]1
InChIInChI=1S/C11H9ClFNO2/c1-16-5-7-4-10(15)8-2-6(13)3-9(12)11(8)14-7/h2-4H,5H2,1H3,(H,14,15)
InChIKeyPFIBDXUKTNTZCD-UHFFFAOYSA-N
MW241.65 g/mol
LogP2.47
Rot. Bonds2

About 8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one

8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one (PubChem CID 62318813) has the molecular formula C11H9ClFNO2 and a molecular weight of 241.65 g/mol. Its IUPAC name is 8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
PubChem CID62318813
Molecular FormulaC11H9ClFNO2
Molecular Weight241.65 g/mol
Exact Mass241.03
IUPAC Name8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one
SMILESCOCc1cc(=O)c2cc(F)cc(Cl)c2[nH]1
InChIInChI=1S/C11H9ClFNO2/c1-16-5-7-4-10(15)8-2-6(13)3-9(12)11(8)14-7/h2-4H,5H2,1H3,(H,14,15)
InChIKeyPFIBDXUKTNTZCD-UHFFFAOYSA-N
XLogP2.47
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one?
The IUPAC name of 8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one (CID 62318813) is 8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one.
What is the SMILES notation for 8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one?
The canonical SMILES for 8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one is COCc1cc(=O)c2cc(F)cc(Cl)c2[nH]1.
What is the InChIKey of 8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one?
The InChIKey is PFIBDXUKTNTZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO2/c1-16-5-7-4-10(15)8-2-6(13)3-9(12)11(8)14-7/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one?
8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one has a molecular weight of 241.65 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-fluoro-2-(methoxymethyl)-1H-quinolin-4-one is sourced from PubChem (CID 62318813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).