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

C17H13NO2 — CID 621867

IUPAC2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C17H13NO2/c1-11-6-8-12(9-7-11)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)
InChIKeyCKOMAFAOCHXEQX-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.91
Rot. Bonds2

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

2-(4-methylphenyl)quinoline-4-carboxylic acid (PubChem CID 621867) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)quinoline-4-carboxylic acid
PubChem CID621867
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1
InChIInChI=1S/C17H13NO2/c1-11-6-8-12(9-7-11)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20)
InChIKeyCKOMAFAOCHXEQX-UHFFFAOYSA-N
XLogP3.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(4-methylphenyl)quinoline-4-carboxylic acid (CID 621867) is 2-(4-methylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(4-methylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(4-methylphenyl)quinoline-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-methylphenyl)quinoline-4-carboxylic acid?
The InChIKey is CKOMAFAOCHXEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-11-6-8-12(9-7-11)16-10-14(17(19)20)13-4-2-3-5-15(13)18-16/h2-10H,1H3,(H,19,20).
What are the key properties of 2-(4-methylphenyl)quinoline-4-carboxylic acid?
2-(4-methylphenyl)quinoline-4-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 621867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).