N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide

C25H27N5O3 — CID 53199900

About N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide

N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide (PubChem CID 53199900) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide.

Molecular Properties

• Compound Name: N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
• PubChem CID: 53199900
• Molecular Formula: C25H27N5O3
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.21
• IUPAC Name: N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide
• SMILES: Cc1ccccc1Cn1nc2n(CCC(=O)NC3CCCC3)c(=O)c3ccccc3n2c1=O
• InChI: InChI=1S/C25H27N5O3/c1-17-8-2-3-9-18(17)16-29-25(33)30-21-13-7-6-12-20(21)23(32)28(24(30)27-29)15-14-22(31)26-19-10-4-5-11-19/h2-3,6-9,12-13,19H,4-5,10-11,14-16H2,1H3,(H,26,31)
• InChIKey: MEEGFRCSAJRZGF-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 90.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide?

The IUPAC name of N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide (CID 53199900) is N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide.

What is the SMILES notation for N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide?

The canonical SMILES for N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide is Cc1ccccc1Cn1nc2n(CCC(=O)NC3CCCC3)c(=O)c3ccccc3n2c1=O.

What is the InChIKey of N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide?

The InChIKey is MEEGFRCSAJRZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-17-8-2-3-9-18(17)16-29-25(33)30-21-13-7-6-12-20(21)23(32)28(24(30)27-29)15-14-22(31)26-19-10-4-5-11-19/h2-3,6-9,12-13,19H,4-5,10-11,14-16H2,1H3,(H,26,31).

What are the key properties of N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide?

N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide has a molecular weight of 445.52 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-3-[2-[(2-methylphenyl)methyl]-1,5-dioxo-[1,2,4]triazolo[4,3-a]quinazolin-4-yl]propanamide is sourced from PubChem (CID 53199900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).