2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid

C18H16N2O4 — CID 5076484

IUPAC2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
SMILESCOc1ccc(Nc2cc(C(=O)O)c3ccccc3n2)cc1OC
InChIInChI=1S/C18H16N2O4/c1-23-15-8-7-11(9-16(15)24-2)19-17-10-13(18(21)22)12-5-3-4-6-14(12)20-17/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKeyPXQFQCFWADEWAF-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.69
Rot. Bonds5

About 2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid

2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid (PubChem CID 5076484) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
PubChem CID5076484
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
SMILESCOc1ccc(Nc2cc(C(=O)O)c3ccccc3n2)cc1OC
InChIInChI=1S/C18H16N2O4/c1-23-15-8-7-11(9-16(15)24-2)19-17-10-13(18(21)22)12-5-3-4-6-14(12)20-17/h3-10H,1-2H3,(H,19,20)(H,21,22)
InChIKeyPXQFQCFWADEWAF-UHFFFAOYSA-N
XLogP3.69
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dimethoxyanilino)-N-(2-phenylethyl)quinoline-4-carboxamide
CID 15990753
2-(3,4-dimethoxyanilino)-N-(2,3-dimethylcyclohexyl)quinoline-4-carboxamide
CID 20854362
2-(3,4-dimethoxyanilino)-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]quinoline-4-carboxamide
CID 92660878
2-(4-iodoanilino)quinoline-4-carboxylic acid
CID 43154791
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854384
2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547
2-[4-(3,4-dimethoxyanilino)quinolin-2-yl]acetic acid
CID 110435485
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
CID 113048865
1-[6-(3,4-dimethoxyanilino)-3-pyridinyl]-3-phenylurea
CID 113020117
N'-(2-chloroacetyl)-2-(4-methoxyanilino)quinoline-4-carbohydrazide
CID 14892420
N-(2,2-dimethoxyethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 46253310
2-(2,4-dimethoxyanilino)quinoline-4-carboxylate
CID 5070932

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid (CID 5076484) is 2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid is COc1ccc(Nc2cc(C(=O)O)c3ccccc3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid?
The InChIKey is PXQFQCFWADEWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-15-8-7-11(9-16(15)24-2)19-17-10-13(18(21)22)12-5-3-4-6-14(12)20-17/h3-10H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid?
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid is sourced from PubChem (CID 5076484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).