5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid

C17H10ClF2NO2 — CID 4579091

IUPAC5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid
SMILESCc1ccc(Cl)c2c(C(=O)O)cc(-c3ccc(F)cc3F)nc12
InChIInChI=1S/C17H10ClF2NO2/c1-8-2-5-12(18)15-11(17(22)23)7-14(21-16(8)15)10-4-3-9(19)6-13(10)20/h2-7H,1H3,(H,22,23)
InChIKeyXWJYJNHKNRDLDU-UHFFFAOYSA-N
MW333.72 g/mol
LogP4.84
Rot. Bonds2

About 5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid

5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid (PubChem CID 4579091) has the molecular formula C17H10ClF2NO2 and a molecular weight of 333.72 g/mol. Its IUPAC name is 5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid
PubChem CID4579091
Molecular FormulaC17H10ClF2NO2
Molecular Weight333.72 g/mol
Exact Mass333.04
IUPAC Name5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid
SMILESCc1ccc(Cl)c2c(C(=O)O)cc(-c3ccc(F)cc3F)nc12
InChIInChI=1S/C17H10ClF2NO2/c1-8-2-5-12(18)15-11(17(22)23)7-14(21-16(8)15)10-4-3-9(19)6-13(10)20/h2-7H,1H3,(H,22,23)
InChIKeyXWJYJNHKNRDLDU-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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Related Compounds

2-(2,4-difluorophenyl)-5,8-dimethylquinoline-4-carboxylic acid
CID 3881331
5-chloro-2-(3,4-dichlorophenyl)-8-methylquinoline-4-carboxylic acid
CID 3952156
2-(2,4-difluorophenyl)-6-methylquinoline-4-carboxylic acid
CID 5238835
6-(2,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69042733
2-(1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 5024096
3-cyano-6-(2,4-difluorophenyl)-2-methylpyridine-4-carboxylic acid
CID 134083419
2-(2,4-dichlorophenyl)-6,8-difluoroquinoline-4-carboxylic acid
CID 3286939
5-chloro-2-(7-methoxy-1-benzofuran-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4689078
2-(5-bromo-1-benzofuran-2-yl)-5-chloro-8-methylquinoline-4-carboxylic acid
CID 4034964
5-chloro-2-(5-chlorothiophen-2-yl)-8-fluoroquinoline-4-carboxylic acid
CID 63462330
2-(2,4-difluorophenyl)-4-fluoro-5-methylbenzoic acid
CID 172914103
5-(2-chloro-4-fluorophenyl)-2-methylbenzoic acid
CID 113324877

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid (CID 4579091) is 5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid is Cc1ccc(Cl)c2c(C(=O)O)cc(-c3ccc(F)cc3F)nc12.
What is the InChIKey of 5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid?
The InChIKey is XWJYJNHKNRDLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2NO2/c1-8-2-5-12(18)15-11(17(22)23)7-14(21-16(8)15)10-4-3-9(19)6-13(10)20/h2-7H,1H3,(H,22,23).
What are the key properties of 5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid?
5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-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 5-chloro-2-(2,4-difluorophenyl)-8-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 4579091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).