6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid

C16H9Cl2NO2 — CID 629101

IUPAC6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H9Cl2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)
InChIKeyICGJQZNTTPOWLN-UHFFFAOYSA-N
MW318.16 g/mol
LogP4.91
Rot. Bonds2

About 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid

6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid (PubChem CID 629101) has the molecular formula C16H9Cl2NO2 and a molecular weight of 318.16 g/mol. Its IUPAC name is 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid
PubChem CID629101
Molecular FormulaC16H9Cl2NO2
Molecular Weight318.16 g/mol
Exact Mass317.00
IUPAC Name6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H9Cl2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21)
InChIKeyICGJQZNTTPOWLN-UHFFFAOYSA-N
XLogP4.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid (CID 629101) is 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid?
The InChIKey is ICGJQZNTTPOWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO2/c17-10-3-1-9(2-4-10)15-8-13(16(20)21)12-7-11(18)5-6-14(12)19-15/h1-8H,(H,20,21).
What are the key properties of 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid?
6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid has a molecular weight of 318.16 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-chlorophenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 629101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).