6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid

C17H11Cl2NO3 — CID 3321960

IUPAC6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1Cl
InChIInChI=1S/C17H11Cl2NO3/c1-23-16-5-2-9(6-13(16)19)15-8-12(17(21)22)11-7-10(18)3-4-14(11)20-15/h2-8H,1H3,(H,21,22)
InChIKeyHELBYKHTMDDHJV-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.92
Rot. Bonds3

About 6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid

6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 3321960) has the molecular formula C17H11Cl2NO3 and a molecular weight of 348.19 g/mol. Its IUPAC name is 6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
PubChem CID3321960
Molecular FormulaC17H11Cl2NO3
Molecular Weight348.19 g/mol
Exact Mass347.01
IUPAC Name6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1Cl
InChIInChI=1S/C17H11Cl2NO3/c1-23-16-5-2-9(6-13(16)19)15-8-12(17(21)22)11-7-10(18)3-4-14(11)20-15/h2-8H,1H3,(H,21,22)
InChIKeyHELBYKHTMDDHJV-UHFFFAOYSA-N
XLogP4.92
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
2-(3-chloro-4-methoxyphenyl)-6-ethoxyquinoline-4-carboxylic acid
CID 3925337
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 3492969
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
CID 138811121
6-chloro-2-(3-methylphenyl)quinoline-4-carboxylic acid
CID 3348265
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
6-chloro-2-(4-fluorophenyl)quinoline-4-carboxylic acid
CID 3899945
6-chloro-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3789667
2-(3-chlorophenyl)-5,6,7-trimethoxyquinoline-4-carboxylic acid
CID 18073587
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid (CID 3321960) is 6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)cc1Cl.
What is the InChIKey of 6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is HELBYKHTMDDHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3/c1-23-16-5-2-9(6-13(16)19)15-8-12(17(21)22)11-7-10(18)3-4-14(11)20-15/h2-8H,1H3,(H,21,22).
What are the key properties of 6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid?
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 348.19 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3321960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).