8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid

C16H12N2O2 — CID 3768281

IUPAC8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cc(-c3cccnc3)nc12
InChIInChI=1S/C16H12N2O2/c1-10-4-2-6-12-13(16(19)20)8-14(18-15(10)12)11-5-3-7-17-9-11/h2-9H,1H3,(H,19,20)
InChIKeyPKWANJSPDQLZCC-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.30
Rot. Bonds2

About 8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid

8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid (PubChem CID 3768281) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
PubChem CID3768281
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cc(-c3cccnc3)nc12
InChIInChI=1S/C16H12N2O2/c1-10-4-2-6-12-13(16(19)20)8-14(18-15(10)12)11-5-3-7-17-9-11/h2-9H,1H3,(H,19,20)
InChIKeyPKWANJSPDQLZCC-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 8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid?
The IUPAC name of 8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid (CID 3768281) is 8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid?
The canonical SMILES for 8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid is Cc1cccc2c(C(=O)O)cc(-c3cccnc3)nc12.
What is the InChIKey of 8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid?
The InChIKey is PKWANJSPDQLZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-10-4-2-6-12-13(16(19)20)8-14(18-15(10)12)11-5-3-7-17-9-11/h2-9H,1H3,(H,19,20).
What are the key properties of 8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid?
8-methyl-2-pyridin-3-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 8-methyl-2-pyridin-3-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 3768281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).