N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide

C24H24N4O2S — CID 16567178

About N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide (PubChem CID 16567178) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
• PubChem CID: 16567178
• Molecular Formula: C24H24N4O2S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.16
• IUPAC Name: N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide
• SMILES: COc1ccc2c(C)cc3nnc(SC(C)C(=O)Nc4ccc5c(c4)CCC5)n3c2c1
• InChI: InChI=1S/C24H24N4O2S/c1-14-11-22-26-27-24(28(22)21-13-19(30-3)9-10-20(14)21)31-15(2)23(29)25-18-8-7-16-5-4-6-17(16)12-18/h7-13,15H,4-6H2,1-3H3,(H,25,29)
• InChIKey: PGFJLEQOWILPAY-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 68.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide?

The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide (CID 16567178) is N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide.

What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide?

The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide is COc1ccc2c(C)cc3nnc(SC(C)C(=O)Nc4ccc5c(c4)CCC5)n3c2c1.

What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide?

The InChIKey is PGFJLEQOWILPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-14-11-22-26-27-24(28(22)21-13-19(30-3)9-10-20(14)21)31-15(2)23(29)25-18-8-7-16-5-4-6-17(16)12-18/h7-13,15H,4-6H2,1-3H3,(H,25,29).

What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide?

N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide has a molecular weight of 432.55 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanamide is sourced from PubChem (CID 16567178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).