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

C23H19ClFN5O2 — CID 46910314

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

7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-[cyclopropyl(fluoro)methyl]-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 46910314) has the molecular formula C23H19ClFN5O2 and a molecular weight of 451.89 g/mol. Its IUPAC name is 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-[cyclopropyl(fluoro)methyl]-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-[cyclopropyl(fluoro)methyl]-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
• PubChem CID: 46910314
• Molecular Formula: C23H19ClFN5O2
• Molecular Weight: 451.89 g/mol
• Exact Mass: 451.12
• IUPAC Name: 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-[cyclopropyl(fluoro)methyl]-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
• SMILES: Cc1cc2c(cc1C(=O)N1CCc3cc(Cl)ccc31)[nH]c(=O)c1nnc(C(F)C3CC3)n12
• InChI: InChI=1S/C23H19ClFN5O2/c1-11-8-18-16(26-22(31)21-28-27-20(30(18)21)19(25)12-2-3-12)10-15(11)23(32)29-7-6-13-9-14(24)4-5-17(13)29/h4-5,8-10,12,19H,2-3,6-7H2,1H3,(H,26,31)
• InChIKey: KUIUHRXUHJMJCL-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 83.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.89
LogP ≤ 5	4.16
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-[cyclopropyl(fluoro)methyl]-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-[cyclopropyl(fluoro)methyl]-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 46910314) is 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-[cyclopropyl(fluoro)methyl]-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-[cyclopropyl(fluoro)methyl]-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-[cyclopropyl(fluoro)methyl]-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3cc(Cl)ccc31)[nH]c(=O)c1nnc(C(F)C3CC3)n12.

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

The InChIKey is KUIUHRXUHJMJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN5O2/c1-11-8-18-16(26-22(31)21-28-27-20(30(18)21)19(25)12-2-3-12)10-15(11)23(32)29-7-6-13-9-14(24)4-5-17(13)29/h4-5,8-10,12,19H,2-3,6-7H2,1H3,(H,26,31).

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

7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-[cyclopropyl(fluoro)methyl]-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 451.89 g/mol, XLogP of 4.16, 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-[cyclopropyl(fluoro)methyl]-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 46910314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).