6-methyl-2-phenylquinoline-4-carboxylic acid

C17H13NO2 — CID 698707

IUPAC6-methyl-2-phenylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1
InChIInChI=1S/C17H13NO2/c1-11-7-8-15-13(9-11)14(17(19)20)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)
InChIKeyQTHANKFZSPYAPO-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.91
Rot. Bonds2

About 6-methyl-2-phenylquinoline-4-carboxylic acid

6-methyl-2-phenylquinoline-4-carboxylic acid (PubChem CID 698707) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-methyl-2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-phenylquinoline-4-carboxylic acid
PubChem CID698707
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name6-methyl-2-phenylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1
InChIInChI=1S/C17H13NO2/c1-11-7-8-15-13(9-11)14(17(19)20)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)
InChIKeyQTHANKFZSPYAPO-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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Related Compounds

Cinchophen
CID 8593
Brequinar
CID 57030
Oxycinchophen
CID 10239
Quinaldic Acid
CID 7124
1-Phenazinecarboxylic acid
CID 95069
Bicinchoninic acid
CID 71068
Neocinchophen
CID 68089
4-Quinolinecarboxylic acid
CID 10243
Tetrophan
CID 120171
2,6-Diphenylisonicotinic acid
CID 3490694
Mefloquine carboxylic acid
CID 169721
Brequinar Analog
CID 1543

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenylquinoline-4-carboxylic acid?
The IUPAC name of 6-methyl-2-phenylquinoline-4-carboxylic acid (CID 698707) is 6-methyl-2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-phenylquinoline-4-carboxylic acid is Cc1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-methyl-2-phenylquinoline-4-carboxylic acid?
The InChIKey is QTHANKFZSPYAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-11-7-8-15-13(9-11)14(17(19)20)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20).
What are the key properties of 6-methyl-2-phenylquinoline-4-carboxylic acid?
6-methyl-2-phenylquinoline-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 6-methyl-2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 698707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).