7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one

C11H11FINO — CID 166667213

IUPAC7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one
SMILESCC1(C)C(=O)CN(I)c2cc(F)ccc21
InChIInChI=1S/C11H11FINO/c1-11(2)8-4-3-7(12)5-9(8)14(13)6-10(11)15/h3-5H,6H2,1-2H3
InChIKeyCWZFMYRARHMMLW-UHFFFAOYSA-N
MW319.12 g/mol
LogP2.84
Rot. Bonds

About 7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one

7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one (PubChem CID 166667213) has the molecular formula C11H11FINO and a molecular weight of 319.12 g/mol. Its IUPAC name is 7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one.

Molecular Properties

Compound Name7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one
PubChem CID166667213
Molecular FormulaC11H11FINO
Molecular Weight319.12 g/mol
Exact Mass318.99
IUPAC Name7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one
SMILESCC1(C)C(=O)CN(I)c2cc(F)ccc21
InChIInChI=1S/C11H11FINO/c1-11(2)8-4-3-7(12)5-9(8)14(13)6-10(11)15/h3-5H,6H2,1-2H3
InChIKeyCWZFMYRARHMMLW-UHFFFAOYSA-N
XLogP2.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze 7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-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-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one?
The IUPAC name of 7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one (CID 166667213) is 7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one.
What is the SMILES notation for 7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one?
The canonical SMILES for 7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one is CC1(C)C(=O)CN(I)c2cc(F)ccc21.
What is the InChIKey of 7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one?
The InChIKey is CWZFMYRARHMMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FINO/c1-11(2)8-4-3-7(12)5-9(8)14(13)6-10(11)15/h3-5H,6H2,1-2H3.
What are the key properties of 7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one?
7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one has a molecular weight of 319.12 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-iodo-4,4-dimethyl-2H-quinolin-3-one is sourced from PubChem (CID 166667213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).