3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one

C15H8ClF2NO — CID 141228274

IUPAC3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one
SMILESO=C1c2cc(F)cc(F)c2N=CC1c1ccc(Cl)cc1
InChIInChI=1S/C15H8ClF2NO/c16-9-3-1-8(2-4-9)12-7-19-14-11(15(12)20)5-10(17)6-13(14)18/h1-7,12H
InChIKeyKDCKEJNMRXLUHB-UHFFFAOYSA-N
MW291.68 g/mol
LogP4.30
Rot. Bonds1

About 3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one

3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one (PubChem CID 141228274) has the molecular formula C15H8ClF2NO and a molecular weight of 291.68 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one
PubChem CID141228274
Molecular FormulaC15H8ClF2NO
Molecular Weight291.68 g/mol
Exact Mass291.03
IUPAC Name3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one
SMILESO=C1c2cc(F)cc(F)c2N=CC1c1ccc(Cl)cc1
InChIInChI=1S/C15H8ClF2NO/c16-9-3-1-8(2-4-9)12-7-19-14-11(15(12)20)5-10(17)6-13(14)18/h1-7,12H
InChIKeyKDCKEJNMRXLUHB-UHFFFAOYSA-N
XLogP4.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.68
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one (CID 141228274) is 3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one is O=C1c2cc(F)cc(F)c2N=CC1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one?
The InChIKey is KDCKEJNMRXLUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF2NO/c16-9-3-1-8(2-4-9)12-7-19-14-11(15(12)20)5-10(17)6-13(14)18/h1-7,12H.
What are the key properties of 3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one?
3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one has a molecular weight of 291.68 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6,8-difluoro-3H-quinolin-4-one is sourced from PubChem (CID 141228274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).