4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid

C18H14ClNO2 — CID 19788037

IUPAC4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid
SMILESCc1cc(C)c2nc(C(=O)O)cc(-c3ccccc3Cl)c2c1
InChIInChI=1S/C18H14ClNO2/c1-10-7-11(2)17-14(8-10)13(9-16(20-17)18(21)22)12-5-3-4-6-15(12)19/h3-9H,1-2H3,(H,21,22)
InChIKeyFWRBGZBOJLWIFZ-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.87
Rot. Bonds2

About 4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid

4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid (PubChem CID 19788037) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid
PubChem CID19788037
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Name4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid
SMILESCc1cc(C)c2nc(C(=O)O)cc(-c3ccccc3Cl)c2c1
InChIInChI=1S/C18H14ClNO2/c1-10-7-11(2)17-14(8-10)13(9-16(20-17)18(21)22)12-5-3-4-6-15(12)19/h3-9H,1-2H3,(H,21,22)
InChIKeyFWRBGZBOJLWIFZ-UHFFFAOYSA-N
XLogP4.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid?
The IUPAC name of 4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid (CID 19788037) is 4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid is Cc1cc(C)c2nc(C(=O)O)cc(-c3ccccc3Cl)c2c1.
What is the InChIKey of 4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid?
The InChIKey is FWRBGZBOJLWIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-10-7-11(2)17-14(8-10)13(9-16(20-17)18(21)22)12-5-3-4-6-15(12)19/h3-9H,1-2H3,(H,21,22).
What are the key properties of 4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid?
4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid has a molecular weight of 311.77 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6,8-dimethylquinoline-2-carboxylic acid is sourced from PubChem (CID 19788037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).