8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one

C11H10FNO2 — CID 12807888

IUPAC8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one
SMILESCn1cc(CO)c(=O)c2cccc(F)c21
InChIInChI=1S/C11H10FNO2/c1-13-5-7(6-14)11(15)8-3-2-4-9(12)10(8)13/h2-5,14H,6H2,1H3
InChIKeyZXRYPQJKOCUBOZ-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.17
Rot. Bonds1

About 8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one

8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one (PubChem CID 12807888) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one.

Molecular Properties

Compound Name8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one
PubChem CID12807888
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one
SMILESCn1cc(CO)c(=O)c2cccc(F)c21
InChIInChI=1S/C11H10FNO2/c1-13-5-7(6-14)11(15)8-3-2-4-9(12)10(8)13/h2-5,14H,6H2,1H3
InChIKeyZXRYPQJKOCUBOZ-UHFFFAOYSA-N
XLogP1.17
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one?
The IUPAC name of 8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one (CID 12807888) is 8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one.
What is the SMILES notation for 8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one?
The canonical SMILES for 8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one is Cn1cc(CO)c(=O)c2cccc(F)c21.
What is the InChIKey of 8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one?
The InChIKey is ZXRYPQJKOCUBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-13-5-7(6-14)11(15)8-3-2-4-9(12)10(8)13/h2-5,14H,6H2,1H3.
What are the key properties of 8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one?
8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one has a molecular weight of 207.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one is sourced from PubChem (CID 12807888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).