methyl 2-pyridin-2-ylquinoline-4-carboxylate

C16H12N2O2 — CID 4511377

IUPACmethyl 2-pyridin-2-ylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C16H12N2O2/c1-20-16(19)12-10-15(14-8-4-5-9-17-14)18-13-7-3-2-6-11(12)13/h2-10H,1H3
InChIKeyAOEHEEXIDPQKCG-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.08
Rot. Bonds2

About methyl 2-pyridin-2-ylquinoline-4-carboxylate

methyl 2-pyridin-2-ylquinoline-4-carboxylate (PubChem CID 4511377) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 2-pyridin-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-pyridin-2-ylquinoline-4-carboxylate
PubChem CID4511377
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Namemethyl 2-pyridin-2-ylquinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C16H12N2O2/c1-20-16(19)12-10-15(14-8-4-5-9-17-14)18-13-7-3-2-6-11(12)13/h2-10H,1H3
InChIKeyAOEHEEXIDPQKCG-UHFFFAOYSA-N
XLogP3.08
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pyridin-2-ylquinoline-4-carboxylate?
The IUPAC name of methyl 2-pyridin-2-ylquinoline-4-carboxylate (CID 4511377) is methyl 2-pyridin-2-ylquinoline-4-carboxylate.
What is the SMILES notation for methyl 2-pyridin-2-ylquinoline-4-carboxylate?
The canonical SMILES for methyl 2-pyridin-2-ylquinoline-4-carboxylate is COC(=O)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of methyl 2-pyridin-2-ylquinoline-4-carboxylate?
The InChIKey is AOEHEEXIDPQKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-20-16(19)12-10-15(14-8-4-5-9-17-14)18-13-7-3-2-6-11(12)13/h2-10H,1H3.
What are the key properties of methyl 2-pyridin-2-ylquinoline-4-carboxylate?
methyl 2-pyridin-2-ylquinoline-4-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pyridin-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 4511377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).