6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid

C17H14N2O2 — CID 5115316

IUPAC6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESCc1cc(C)c2nc(-c3ccccn3)cc(C(=O)O)c2c1
InChIInChI=1S/C17H14N2O2/c1-10-7-11(2)16-12(8-10)13(17(20)21)9-15(19-16)14-5-3-4-6-18-14/h3-9H,1-2H3,(H,20,21)
InChIKeyTZORFOZZBMQHCM-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.61
Rot. Bonds2

About 6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid

6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid (PubChem CID 5115316) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid
PubChem CID5115316
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid
SMILESCc1cc(C)c2nc(-c3ccccn3)cc(C(=O)O)c2c1
InChIInChI=1S/C17H14N2O2/c1-10-7-11(2)16-12(8-10)13(17(20)21)9-15(19-16)14-5-3-4-6-18-14/h3-9H,1-2H3,(H,20,21)
InChIKeyTZORFOZZBMQHCM-UHFFFAOYSA-N
XLogP3.61
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The IUPAC name of 6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid (CID 5115316) is 6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid.
What is the SMILES notation for 6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The canonical SMILES for 6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid is Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)O)c2c1.
What is the InChIKey of 6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
The InChIKey is TZORFOZZBMQHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-10-7-11(2)16-12(8-10)13(17(20)21)9-15(19-16)14-5-3-4-6-18-14/h3-9H,1-2H3,(H,20,21).
What are the key properties of 6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid?
6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-pyridin-2-ylquinoline-4-carboxylic acid is sourced from PubChem (CID 5115316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).