6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid

C17H10ClF2NO3 — CID 162436443

IUPAC6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCn1c(-c2cc(F)cc(F)c2)c(C(=O)O)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H10ClF2NO3/c1-21-13-3-2-9(18)6-12(13)16(22)14(17(23)24)15(21)8-4-10(19)7-11(20)5-8/h2-7H,1H3,(H,23,24)
InChIKeyGKZAMTQRWRGQBH-UHFFFAOYSA-N
MW349.72 g/mol
LogP3.84
Rot. Bonds2

About 6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid

6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 162436443) has the molecular formula C17H10ClF2NO3 and a molecular weight of 349.72 g/mol. Its IUPAC name is 6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID162436443
Molecular FormulaC17H10ClF2NO3
Molecular Weight349.72 g/mol
Exact Mass349.03
IUPAC Name6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCn1c(-c2cc(F)cc(F)c2)c(C(=O)O)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C17H10ClF2NO3/c1-21-13-3-2-9(18)6-12(13)16(22)14(17(23)24)15(21)8-4-10(19)7-11(20)5-8/h2-7H,1H3,(H,23,24)
InChIKeyGKZAMTQRWRGQBH-UHFFFAOYSA-N
XLogP3.84
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.72
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid (CID 162436443) is 6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid is Cn1c(-c2cc(F)cc(F)c2)c(C(=O)O)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is GKZAMTQRWRGQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2NO3/c1-21-13-3-2-9(18)6-12(13)16(22)14(17(23)24)15(21)8-4-10(19)7-11(20)5-8/h2-7H,1H3,(H,23,24).
What are the key properties of 6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid?
6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 349.72 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,5-difluorophenyl)-1-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 162436443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).