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

C18H15NO2 — CID 811079

IUPAC3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccccc3c(C(=O)O)c2C)cc1
InChIInChI=1S/C18H15NO2/c1-11-7-9-13(10-8-11)17-12(2)16(18(20)21)14-5-3-4-6-15(14)19-17/h3-10H,1-2H3,(H,20,21)
InChIKeyKXVPDJIRQPVAOO-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.22
Rot. Bonds2

About 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid

3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid (PubChem CID 811079) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
PubChem CID811079
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2nc3ccccc3c(C(=O)O)c2C)cc1
InChIInChI=1S/C18H15NO2/c1-11-7-9-13(10-8-11)17-12(2)16(18(20)21)14-5-3-4-6-15(14)19-17/h3-10H,1-2H3,(H,20,21)
InChIKeyKXVPDJIRQPVAOO-UHFFFAOYSA-N
XLogP4.22
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The IUPAC name of 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid (CID 811079) is 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid is Cc1ccc(-c2nc3ccccc3c(C(=O)O)c2C)cc1.
What is the InChIKey of 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
The InChIKey is KXVPDJIRQPVAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-11-7-9-13(10-8-11)17-12(2)16(18(20)21)14-5-3-4-6-15(14)19-17/h3-10H,1-2H3,(H,20,21).
What are the key properties of 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid?
3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 811079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).