N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide

C24H18FN5O3 — CID 50757461

About N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide

N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (PubChem CID 50757461) has the molecular formula C24H18FN5O3 and a molecular weight of 443.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.

Molecular Properties

• Compound Name: N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
• PubChem CID: 50757461
• Molecular Formula: C24H18FN5O3
• Molecular Weight: 443.44 g/mol
• Exact Mass: 443.14
• IUPAC Name: N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
• SMILES: COc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NCc4ccccc4F)cc23)cc1
• InChI: InChI=1S/C24H18FN5O3/c1-33-17-9-6-14(7-10-17)21-22-27-24(32)18-11-8-15(12-20(18)30(22)29-28-21)23(31)26-13-16-4-2-3-5-19(16)25/h2-12,29H,13H2,1H3,(H,26,31)
• InChIKey: SGPXXOWPVDNQOQ-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 101.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.44
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?

The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide (CID 50757461) is N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide.

What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?

The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is COc1ccc(-c2n[nH]n3c2nc(=O)c2ccc(C(=O)NCc4ccccc4F)cc23)cc1.

What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?

The InChIKey is SGPXXOWPVDNQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O3/c1-33-17-9-6-14(7-10-17)21-22-27-24(32)18-11-8-15(12-20(18)30(22)29-28-21)23(31)26-13-16-4-2-3-5-19(16)25/h2-12,29H,13H2,1H3,(H,26,31).

What are the key properties of N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide?

N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide has a molecular weight of 443.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluorophenyl)methyl]-3-(4-methoxyphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide is sourced from PubChem (CID 50757461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).