7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one

C11H9ClFNO — CID 168856762

IUPAC7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one
SMILESCc1cc2ccc(CCl)c(F)c2[nH]c1=O
InChIInChI=1S/C11H9ClFNO/c1-6-4-7-2-3-8(5-12)9(13)10(7)14-11(6)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyAQUBDDWBGFRMHO-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.71
Rot. Bonds1

About 7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one

7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one (PubChem CID 168856762) has the molecular formula C11H9ClFNO and a molecular weight of 225.65 g/mol. Its IUPAC name is 7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one
PubChem CID168856762
Molecular FormulaC11H9ClFNO
Molecular Weight225.65 g/mol
Exact Mass225.04
IUPAC Name7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one
SMILESCc1cc2ccc(CCl)c(F)c2[nH]c1=O
InChIInChI=1S/C11H9ClFNO/c1-6-4-7-2-3-8(5-12)9(13)10(7)14-11(6)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyAQUBDDWBGFRMHO-UHFFFAOYSA-N
XLogP2.71
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-(chloromethyl)-8-fluoro-3-methyl-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 7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one?
The IUPAC name of 7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one (CID 168856762) is 7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for 7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one?
The canonical SMILES for 7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one is Cc1cc2ccc(CCl)c(F)c2[nH]c1=O.
What is the InChIKey of 7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one?
The InChIKey is AQUBDDWBGFRMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFNO/c1-6-4-7-2-3-8(5-12)9(13)10(7)14-11(6)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one?
7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one has a molecular weight of 225.65 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(chloromethyl)-8-fluoro-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 168856762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).