1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide

C24H19N5O3 — CID 55762876

About 1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide

1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide (PubChem CID 55762876) has the molecular formula C24H19N5O3 and a molecular weight of 425.45 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide
• PubChem CID: 55762876
• Molecular Formula: C24H19N5O3
• Molecular Weight: 425.45 g/mol
• Exact Mass: 425.15
• IUPAC Name: 1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide
• SMILES: Cn1c(=O)cc(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)c2ccccc21
• InChI: InChI=1S/C24H19N5O3/c1-27-20-10-3-2-9-18(20)19(14-22(27)30)23(31)25-17-8-6-7-16(13-17)15-29-24(32)28-12-5-4-11-21(28)26-29/h2-14H,15H2,1H3,(H,25,31)
• InChIKey: IKWRLIJHXORQIJ-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 90.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.45
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide?

The IUPAC name of 1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide (CID 55762876) is 1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide.

What is the SMILES notation for 1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide?

The canonical SMILES for 1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)c2ccccc21.

What is the InChIKey of 1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide?

The InChIKey is IKWRLIJHXORQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O3/c1-27-20-10-3-2-9-18(20)19(14-22(27)30)23(31)25-17-8-6-7-16(13-17)15-29-24(32)28-12-5-4-11-21(28)26-29/h2-14H,15H2,1H3,(H,25,31).

What are the key properties of 1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide?

1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]quinoline-4-carboxamide is sourced from PubChem (CID 55762876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).