1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one

C10H9ClFNO — CID 23057324

IUPAC1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
SMILESCC1CC(=O)c2cc(F)ccc2N1Cl
InChIInChI=1S/C10H9ClFNO/c1-6-4-10(14)8-5-7(12)2-3-9(8)13(6)11/h2-3,5-6H,4H2,1H3
InChIKeyHBFUJBLLYLXHCE-UHFFFAOYSA-N
MW213.64 g/mol
LogP2.76
Rot. Bonds

About 1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one

1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one (PubChem CID 23057324) has the molecular formula C10H9ClFNO and a molecular weight of 213.64 g/mol. Its IUPAC name is 1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
PubChem CID23057324
Molecular FormulaC10H9ClFNO
Molecular Weight213.64 g/mol
Exact Mass213.04
IUPAC Name1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one
SMILESCC1CC(=O)c2cc(F)ccc2N1Cl
InChIInChI=1S/C10H9ClFNO/c1-6-4-10(14)8-5-7(12)2-3-9(8)13(6)11/h2-3,5-6H,4H2,1H3
InChIKeyHBFUJBLLYLXHCE-UHFFFAOYSA-N
XLogP2.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one (CID 23057324) is 1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one is CC1CC(=O)c2cc(F)ccc2N1Cl.
What is the InChIKey of 1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one?
The InChIKey is HBFUJBLLYLXHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO/c1-6-4-10(14)8-5-7(12)2-3-9(8)13(6)11/h2-3,5-6H,4H2,1H3.
What are the key properties of 1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one?
1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one has a molecular weight of 213.64 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6-fluoro-2-methyl-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 23057324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).