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

C23H17N5O3 — CID 55962037

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

4-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1H-quinoline-3-carboxamide (PubChem CID 55962037) has the molecular formula C23H17N5O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 4-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1H-quinoline-3-carboxamide.

Molecular Properties

• Compound Name: 4-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1H-quinoline-3-carboxamide
• PubChem CID: 55962037
• Molecular Formula: C23H17N5O3
• Molecular Weight: 411.42 g/mol
• Exact Mass: 411.13
• IUPAC Name: 4-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1H-quinoline-3-carboxamide
• SMILES: O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1c[nH]c2ccccc2c1=O
• InChI: InChI=1S/C23H17N5O3/c29-21-17-8-1-2-9-19(17)24-13-18(21)22(30)25-16-7-5-6-15(12-16)14-28-23(31)27-11-4-3-10-20(27)26-28/h1-13H,14H2,(H,24,29)(H,25,30)
• InChIKey: JFHSKCLAIAOMGP-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 101.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.42
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1H-quinoline-3-carboxamide (CID 55962037) is 4-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1H-quinoline-3-carboxamide.

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

The canonical SMILES for 4-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1H-quinoline-3-carboxamide is O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1c[nH]c2ccccc2c1=O.

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

The InChIKey is JFHSKCLAIAOMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O3/c29-21-17-8-1-2-9-19(17)24-13-18(21)22(30)25-16-7-5-6-15(12-16)14-28-23(31)27-11-4-3-10-20(27)26-28/h1-13H,14H2,(H,24,29)(H,25,30).

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

4-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1H-quinoline-3-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-oxo-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 55962037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).