6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid

C18H14ClNO4 — CID 138811121

IUPAC6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)c(OC)c1
InChIInChI=1S/C18H14ClNO4/c1-23-11-4-5-12(17(8-11)24-2)16-9-14(18(21)22)13-7-10(19)3-6-15(13)20-16/h3-9H,1-2H3,(H,21,22)
InChIKeyJACSVYZWFNGTKN-UHFFFAOYSA-N
MW343.77 g/mol
LogP4.27
Rot. Bonds4

About 6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid

6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid (PubChem CID 138811121) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is 6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
PubChem CID138811121
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)c(OC)c1
InChIInChI=1S/C18H14ClNO4/c1-23-11-4-5-12(17(8-11)24-2)16-9-14(18(21)22)13-7-10(19)3-6-15(13)20-16/h3-9H,1-2H3,(H,21,22)
InChIKeyJACSVYZWFNGTKN-UHFFFAOYSA-N
XLogP4.27
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779420
6-chloro-2-(4-methoxyphenyl)quinoline-4-carboxylic acid
CID 4277393
6-bromo-2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779265
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
N-(4-chlorophenyl)-2-(2,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 4150006
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 42749995
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
2-(5-chloro-2-methoxyphenyl)-6-propan-2-ylquinoline-4-carboxylic acid
CID 3441823
2-(5-chloro-1-benzofuran-2-yl)-6-methoxyquinoline-4-carboxylic acid
CID 5133898
2-(2,5-dimethylphenyl)-6-methoxyquinoline-4-carboxylic acid
CID 3263095
2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide
CID 42750246
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid (CID 138811121) is 6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c3cc(Cl)ccc3n2)c(OC)c1.
What is the InChIKey of 6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid?
The InChIKey is JACSVYZWFNGTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-23-11-4-5-12(17(8-11)24-2)16-9-14(18(21)22)13-7-10(19)3-6-15(13)20-16/h3-9H,1-2H3,(H,21,22).
What are the key properties of 6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid?
6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid has a molecular weight of 343.77 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,4-dimethoxyphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 138811121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).