6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one

C16H11ClFNO — CID 131850822

IUPAC6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H11ClFNO/c1-9-15(10-2-5-12(18)6-3-10)19-14-7-4-11(17)8-13(14)16(9)20/h2-8H,1H3,(H,19,20)
InChIKeyPGOJBVSOLZKNMP-UHFFFAOYSA-N
MW287.72 g/mol
LogP4.30
Rot. Bonds1

About 6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one

6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one (PubChem CID 131850822) has the molecular formula C16H11ClFNO and a molecular weight of 287.72 g/mol. Its IUPAC name is 6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one
PubChem CID131850822
Molecular FormulaC16H11ClFNO
Molecular Weight287.72 g/mol
Exact Mass287.05
IUPAC Name6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one
SMILESCc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C16H11ClFNO/c1-9-15(10-2-5-12(18)6-3-10)19-14-7-4-11(17)8-13(14)16(9)20/h2-8H,1H3,(H,19,20)
InChIKeyPGOJBVSOLZKNMP-UHFFFAOYSA-N
XLogP4.30
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.72
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one?
The IUPAC name of 6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one (CID 131850822) is 6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one is Cc1c(-c2ccc(F)cc2)[nH]c2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one?
The InChIKey is PGOJBVSOLZKNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFNO/c1-9-15(10-2-5-12(18)6-3-10)19-14-7-4-11(17)8-13(14)16(9)20/h2-8H,1H3,(H,19,20).
What are the key properties of 6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one?
6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one has a molecular weight of 287.72 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 131850822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).