8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid

C20H19NO2 — CID 3910389

IUPAC8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3cccc(CC)c3n2)cc1
InChIInChI=1S/C20H19NO2/c1-3-13-8-10-15(11-9-13)18-12-17(20(22)23)16-7-5-6-14(4-2)19(16)21-18/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyMADKDJMTWVZIJT-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.72
Rot. Bonds4

About 8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid

8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid (PubChem CID 3910389) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
PubChem CID3910389
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid
SMILESCCc1ccc(-c2cc(C(=O)O)c3cccc(CC)c3n2)cc1
InChIInChI=1S/C20H19NO2/c1-3-13-8-10-15(11-9-13)18-12-17(20(22)23)16-7-5-6-14(4-2)19(16)21-18/h5-12H,3-4H2,1-2H3,(H,22,23)
InChIKeyMADKDJMTWVZIJT-UHFFFAOYSA-N
XLogP4.72
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 4261180
8-ethyl-2-pyridin-4-ylquinoline-4-carboxylic acid
CID 3497409
8-(carboxymethyl)-2-phenylquinoline-4-carboxylic acid
CID 71039932
8-ethyl-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 3928035
2-(4-ethylphenyl)-8-methylquinoline-4-carboxylate
CID 6975057
8-chloro-2-(4-ethylphenyl)quinoline-4-carbohydrazide
CID 5172981
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
2-cyclopentyl-8-ethylquinoline-4-carboxylic acid
CID 4985765
8-ethyl-2-phenylquinolin-4-amine
CID 55045650
8-methyl-2-(4-pentoxyphenyl)quinoline-4-carboxylic acid
CID 7139668
2-(5-bromo-1-benzofuran-2-yl)-8-ethylquinoline-4-carboxylic acid
CID 4234786
8-fluoro-2-[4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid
CID 163825423

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid (CID 3910389) is 8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid is CCc1ccc(-c2cc(C(=O)O)c3cccc(CC)c3n2)cc1.
What is the InChIKey of 8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid?
The InChIKey is MADKDJMTWVZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-3-13-8-10-15(11-9-13)18-12-17(20(22)23)16-7-5-6-14(4-2)19(16)21-18/h5-12H,3-4H2,1-2H3,(H,22,23).
What are the key properties of 8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid?
8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid has a molecular weight of 305.38 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(4-ethylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 3910389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).