7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one

C11H8ClF2NO — CID 62891407

IUPAC7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one
SMILESCc1c(Cl)ccc2c(=O)cc(C(F)F)[nH]c12
InChIInChI=1S/C11H8ClF2NO/c1-5-7(12)3-2-6-9(16)4-8(11(13)14)15-10(5)6/h2-4,11H,1H3,(H,15,16)
InChIKeyAHWHDGGMAMMKGA-UHFFFAOYSA-N
MW243.64 g/mol
LogP3.43
Rot. Bonds1

About 7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one

7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one (PubChem CID 62891407) has the molecular formula C11H8ClF2NO and a molecular weight of 243.64 g/mol. Its IUPAC name is 7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one
PubChem CID62891407
Molecular FormulaC11H8ClF2NO
Molecular Weight243.64 g/mol
Exact Mass243.03
IUPAC Name7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one
SMILESCc1c(Cl)ccc2c(=O)cc(C(F)F)[nH]c12
InChIInChI=1S/C11H8ClF2NO/c1-5-7(12)3-2-6-9(16)4-8(11(13)14)15-10(5)6/h2-4,11H,1H3,(H,15,16)
InChIKeyAHWHDGGMAMMKGA-UHFFFAOYSA-N
XLogP3.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.64
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one?
The IUPAC name of 7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one (CID 62891407) is 7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one.
What is the SMILES notation for 7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one?
The canonical SMILES for 7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one is Cc1c(Cl)ccc2c(=O)cc(C(F)F)[nH]c12.
What is the InChIKey of 7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one?
The InChIKey is AHWHDGGMAMMKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2NO/c1-5-7(12)3-2-6-9(16)4-8(11(13)14)15-10(5)6/h2-4,11H,1H3,(H,15,16).
What are the key properties of 7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one?
7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one has a molecular weight of 243.64 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(difluoromethyl)-8-methyl-1H-quinolin-4-one is sourced from PubChem (CID 62891407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).