7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

C24H21ClFN5O2 — CID 46910228

IUPAC7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(Cl)c(F)cc31)[nH]c(=O)c1nnc(C3CCCC3)n12
InChIInChI=1S/C24H21ClFN5O2/c1-12-8-20-18(27-23(32)22-29-28-21(31(20)22)13-4-2-3-5-13)10-15(12)24(33)30-7-6-14-9-16(25)17(26)11-19(14)30/h8-11,13H,2-7H2,1H3,(H,27,32)
InChIKeyIWMJMONVJUOHTF-UHFFFAOYSA-N
MW465.92 g/mol
LogP4.53
Rot. Bonds2

About 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one

7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 46910228) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID46910228
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC Name7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(Cl)c(F)cc31)[nH]c(=O)c1nnc(C3CCCC3)n12
InChIInChI=1S/C24H21ClFN5O2/c1-12-8-20-18(27-23(32)22-29-28-21(31(20)22)13-4-2-3-5-13)10-15(12)24(33)30-7-6-14-9-16(25)17(26)11-19(14)30/h8-11,13H,2-7H2,1H3,(H,27,32)
InChIKeyIWMJMONVJUOHTF-UHFFFAOYSA-N
XLogP4.53
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 46910228) is 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3cc(Cl)c(F)cc31)[nH]c(=O)c1nnc(C3CCCC3)n12.
What is the InChIKey of 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is IWMJMONVJUOHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClFN5O2/c1-12-8-20-18(27-23(32)22-29-28-21(31(20)22)13-4-2-3-5-13)10-15(12)24(33)30-7-6-14-9-16(25)17(26)11-19(14)30/h8-11,13H,2-7H2,1H3,(H,27,32).
What are the key properties of 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 465.92 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-1-cyclopentyl-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 46910228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).