7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C23H20ClN5O2 — CID 58575332

About 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 58575332) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

• Compound Name: 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
• PubChem CID: 58575332
• Molecular Formula: C23H20ClN5O2
• Molecular Weight: 433.90 g/mol
• Exact Mass: 433.13
• IUPAC Name: 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
• SMILES: Cc1cc2c(cc1C(=O)N1CCc3cc(Cl)ccc31)[nH]c(=O)c1nnc(CC3CC3)n12
• InChI: InChI=1S/C23H20ClN5O2/c1-12-8-19-17(25-22(30)21-27-26-20(29(19)21)9-13-2-3-13)11-16(12)23(31)28-7-6-14-10-15(24)4-5-18(14)28/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,25,30)
• InChIKey: PJUFVVFZNYJLQW-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 83.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.90
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?

The IUPAC name of 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 58575332) is 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

What is the SMILES notation for 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?

The canonical SMILES for 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3cc(Cl)ccc31)[nH]c(=O)c1nnc(CC3CC3)n12.

What is the InChIKey of 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?

The InChIKey is PJUFVVFZNYJLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-12-8-19-17(25-22(30)21-27-26-20(29(19)21)9-13-2-3-13)11-16(12)23(31)28-7-6-14-10-15(24)4-5-18(14)28/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,25,30).

What are the key properties of 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?

7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 433.90 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 58575332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).