2-(4-ethylanilino)quinoline-4-carboxylic acid

C18H16N2O2 — CID 4166547

IUPAC2-(4-ethylanilino)quinoline-4-carboxylic acid
SMILESCCc1ccc(Nc2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C18H16N2O2/c1-2-12-7-9-13(10-8-12)19-17-11-15(18(21)22)14-5-3-4-6-16(14)20-17/h3-11H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyOPKWJGVNWLXPSS-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.24
Rot. Bonds4

About 2-(4-ethylanilino)quinoline-4-carboxylic acid

2-(4-ethylanilino)quinoline-4-carboxylic acid (PubChem CID 4166547) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(4-ethylanilino)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylanilino)quinoline-4-carboxylic acid
PubChem CID4166547
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-(4-ethylanilino)quinoline-4-carboxylic acid
SMILESCCc1ccc(Nc2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C18H16N2O2/c1-2-12-7-9-13(10-8-12)19-17-11-15(18(21)22)14-5-3-4-6-16(14)20-17/h3-11H,2H2,1H3,(H,19,20)(H,21,22)
InChIKeyOPKWJGVNWLXPSS-UHFFFAOYSA-N
XLogP4.24
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-iodoanilino)quinoline-4-carboxylic acid
CID 43154791
2-(3,4-dimethoxyanilino)quinoline-4-carboxylic acid
CID 5076484
5-amino-2-(4-ethylanilino)pyridine-4-carboxylic acid
CID 114090020
N-[(4-chlorophenyl)methyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854379
4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193288
N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide
CID 117079660
2-[[2-(4-ethylanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194644
2-(4-methoxyanilino)-N-[2-(4-methylphenyl)ethyl]quinoline-4-carboxamide
CID 20854390
2-(propan-2-ylamino)quinoline-4-carboxylic acid
CID 43154773
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 20854384
2-(but-2-ynylamino)quinoline-4-carboxylic acid
CID 113464681
N-(2,2-dimethoxyethyl)-2-(4-methoxyanilino)quinoline-4-carboxamide
CID 46253310

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylanilino)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-ethylanilino)quinoline-4-carboxylic acid (CID 4166547) is 2-(4-ethylanilino)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethylanilino)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-ethylanilino)quinoline-4-carboxylic acid is CCc1ccc(Nc2cc(C(=O)O)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethylanilino)quinoline-4-carboxylic acid?
The InChIKey is OPKWJGVNWLXPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-12-7-9-13(10-8-12)19-17-11-15(18(21)22)14-5-3-4-6-16(14)20-17/h3-11H,2H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 2-(4-ethylanilino)quinoline-4-carboxylic acid?
2-(4-ethylanilino)quinoline-4-carboxylic acid has a molecular weight of 292.34 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylanilino)quinoline-4-carboxylic acid is sourced from PubChem (CID 4166547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).