3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid

C17H11ClFNO2 — CID 67961200

IUPAC3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2c(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H11ClFNO2/c1-9-16(18)15(10-2-5-12(19)6-3-10)13-8-11(17(21)22)4-7-14(13)20-9/h2-8H,1H3,(H,21,22)
InChIKeyIVPQTZAABGZOMT-UHFFFAOYSA-N
MW315.73 g/mol
LogP4.70
Rot. Bonds2

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

3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid (PubChem CID 67961200) has the molecular formula C17H11ClFNO2 and a molecular weight of 315.73 g/mol. Its IUPAC name is 3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid
PubChem CID67961200
Molecular FormulaC17H11ClFNO2
Molecular Weight315.73 g/mol
Exact Mass315.05
IUPAC Name3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid
SMILESCc1nc2ccc(C(=O)O)cc2c(-c2ccc(F)cc2)c1Cl
InChIInChI=1S/C17H11ClFNO2/c1-9-16(18)15(10-2-5-12(19)6-3-10)13-8-11(17(21)22)4-7-14(13)20-9/h2-8H,1H3,(H,21,22)
InChIKeyIVPQTZAABGZOMT-UHFFFAOYSA-N
XLogP4.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.73
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid?
The IUPAC name of 3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid (CID 67961200) is 3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid.
What is the SMILES notation for 3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid?
The canonical SMILES for 3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid is Cc1nc2ccc(C(=O)O)cc2c(-c2ccc(F)cc2)c1Cl.
What is the InChIKey of 3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid?
The InChIKey is IVPQTZAABGZOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2/c1-9-16(18)15(10-2-5-12(19)6-3-10)13-8-11(17(21)22)4-7-14(13)20-9/h2-8H,1H3,(H,21,22).
What are the key properties of 3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid?
3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid has a molecular weight of 315.73 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-fluorophenyl)-2-methylquinoline-6-carboxylic acid is sourced from PubChem (CID 67961200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).