N-(cyclopentylcarbamoyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide

C19H22N6O3S — CID 24519248

About N-(cyclopentylcarbamoyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide

N-(cyclopentylcarbamoyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide (PubChem CID 24519248) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(cyclopentylcarbamoyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
• PubChem CID: 24519248
• Molecular Formula: C19H22N6O3S
• Molecular Weight: 414.49 g/mol
• Exact Mass: 414.15
• IUPAC Name: N-(cyclopentylcarbamoyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
• SMILES: CC(Sc1nnc2n(C)c(=O)c3ccccc3n12)C(=O)NC(=O)NC1CCCC1
• InChI: InChI=1S/C19H22N6O3S/c1-11(15(26)21-17(28)20-12-7-3-4-8-12)29-19-23-22-18-24(2)16(27)13-9-5-6-10-14(13)25(18)19/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,20,21,26,28)
• InChIKey: XLJUUWLDPHPFDH-UHFFFAOYSA-N
• XLogP: 1.83
• TPSA: 110.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.49
LogP ≤ 5	1.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-(cyclopentylcarbamoyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide (CID 24519248) is N-(cyclopentylcarbamoyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide.

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

The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide is CC(Sc1nnc2n(C)c(=O)c3ccccc3n12)C(=O)NC(=O)NC1CCCC1.

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

The InChIKey is XLJUUWLDPHPFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c1-11(15(26)21-17(28)20-12-7-3-4-8-12)29-19-23-22-18-24(2)16(27)13-9-5-6-10-14(13)25(18)19/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,20,21,26,28).

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

N-(cyclopentylcarbamoyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide has a molecular weight of 414.49 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopentylcarbamoyl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide is sourced from PubChem (CID 24519248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).