4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid

C17H10ClF2NO2 — CID 67960999

IUPAC4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid
SMILESCc1cnc2ccc(C(=O)O)cc2c1-c1c(F)cc(F)cc1Cl
InChIInChI=1S/C17H10ClF2NO2/c1-8-7-21-14-3-2-9(17(22)23)4-11(14)15(8)16-12(18)5-10(19)6-13(16)20/h2-7H,1H3,(H,22,23)
InChIKeyCPHBINZYYABCIP-UHFFFAOYSA-N
MW333.72 g/mol
LogP4.84
Rot. Bonds2

About 4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid

4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid (PubChem CID 67960999) has the molecular formula C17H10ClF2NO2 and a molecular weight of 333.72 g/mol. Its IUPAC name is 4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid
PubChem CID67960999
Molecular FormulaC17H10ClF2NO2
Molecular Weight333.72 g/mol
Exact Mass333.04
IUPAC Name4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid
SMILESCc1cnc2ccc(C(=O)O)cc2c1-c1c(F)cc(F)cc1Cl
InChIInChI=1S/C17H10ClF2NO2/c1-8-7-21-14-3-2-9(17(22)23)4-11(14)15(8)16-12(18)5-10(19)6-13(16)20/h2-7H,1H3,(H,22,23)
InChIKeyCPHBINZYYABCIP-UHFFFAOYSA-N
XLogP4.84
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.72
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid?
The IUPAC name of 4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid (CID 67960999) is 4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid.
What is the SMILES notation for 4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid?
The canonical SMILES for 4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid is Cc1cnc2ccc(C(=O)O)cc2c1-c1c(F)cc(F)cc1Cl.
What is the InChIKey of 4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid?
The InChIKey is CPHBINZYYABCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2NO2/c1-8-7-21-14-3-2-9(17(22)23)4-11(14)15(8)16-12(18)5-10(19)6-13(16)20/h2-7H,1H3,(H,22,23).
What are the key properties of 4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid?
4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid has a molecular weight of 333.72 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4,6-difluorophenyl)-3-methylquinoline-6-carboxylic acid is sourced from PubChem (CID 67960999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).