methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate

C19H20N4O3 — CID 87017854

About methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate

methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate (PubChem CID 87017854) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate
• PubChem CID: 87017854
• Molecular Formula: C19H20N4O3
• Molecular Weight: 352.39 g/mol
• Exact Mass: 352.15
• IUPAC Name: methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate
• SMILES: COC(=O)c1cccc2c1CCCN2CCn1nc2ccccn2c1=O
• InChI: InChI=1S/C19H20N4O3/c1-26-18(24)15-6-4-8-16-14(15)7-5-10-21(16)12-13-23-19(25)22-11-3-2-9-17(22)20-23/h2-4,6,8-9,11H,5,7,10,12-13H2,1H3
• InChIKey: AEGOLQYDSJUPQE-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 68.84 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.39
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate?

The IUPAC name of methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate (CID 87017854) is methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate.

What is the SMILES notation for methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate?

The canonical SMILES for methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate is COC(=O)c1cccc2c1CCCN2CCn1nc2ccccn2c1=O.

What is the InChIKey of methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate?

The InChIKey is AEGOLQYDSJUPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-26-18(24)15-6-4-8-16-14(15)7-5-10-21(16)12-13-23-19(25)22-11-3-2-9-17(22)20-23/h2-4,6,8-9,11H,5,7,10,12-13H2,1H3.

What are the key properties of methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate?

methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylate is sourced from PubChem (CID 87017854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).