6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one

C10H8FNO2 — CID 22509368

IUPAC6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(F)cc2cc1CO
InChIInChI=1S/C10H8FNO2/c11-8-1-2-9-6(4-8)3-7(5-13)10(14)12-9/h1-4,13H,5H2,(H,12,14)
InChIKeyMPGROULTSRANHD-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.16
Rot. Bonds1

About 6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one

6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one (PubChem CID 22509368) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one
PubChem CID22509368
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(F)cc2cc1CO
InChIInChI=1S/C10H8FNO2/c11-8-1-2-9-6(4-8)3-7(5-13)10(14)12-9/h1-4,13H,5H2,(H,12,14)
InChIKeyMPGROULTSRANHD-UHFFFAOYSA-N
XLogP1.16
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-3-(hydroxymethyl)-1H-quinolin-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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one (CID 22509368) is 6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one is O=c1[nH]c2ccc(F)cc2cc1CO.
What is the InChIKey of 6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one?
The InChIKey is MPGROULTSRANHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-8-1-2-9-6(4-8)3-7(5-13)10(14)12-9/h1-4,13H,5H2,(H,12,14).
What are the key properties of 6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one?
6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one has a molecular weight of 193.18 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(hydroxymethyl)-1H-quinolin-2-one is sourced from PubChem (CID 22509368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).