6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid

C16H12N2O2 — CID 21186

IUPAC6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H12N2O2/c1-10-5-6-13-11(8-10)12(16(19)20)9-15(18-13)14-4-2-3-7-17-14/h2-9H,1H3,(H,19,20)
InChIKeyCITNJIFNHJTCDD-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.30
Rot. Bonds2

About 6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid

6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid (PubChem CID 21186) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
PubChem CID21186
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESCc1ccc2nc(-c3ccccn3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H12N2O2/c1-10-5-6-13-11(8-10)12(16(19)20)9-15(18-13)14-4-2-3-7-17-14/h2-9H,1H3,(H,19,20)
InChIKeyCITNJIFNHJTCDD-UHFFFAOYSA-N
XLogP3.30
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid (CID 21186) is 6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid is Cc1ccc2nc(-c3ccccn3)cc(C(=O)O)c2c1.
What is the InChIKey of 6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The InChIKey is CITNJIFNHJTCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-10-5-6-13-11(8-10)12(16(19)20)9-15(18-13)14-4-2-3-7-17-14/h2-9H,1H3,(H,19,20).
What are the key properties of 6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pyridin-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 21186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).