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

C25H22ClFN4O3 — CID 46910571

IUPAC7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(Cl)c(F)cc31)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C25H22ClFN4O3/c1-13-8-21-19(29-24(32)22-12-28-23(31(21)22)14-3-6-34-7-4-14)10-16(13)25(33)30-5-2-15-9-17(26)18(27)11-20(15)30/h8-12,14H,2-7H2,1H3,(H,29,32)
InChIKeyTZBRUFHXACIRGA-UHFFFAOYSA-N
MW480.93 g/mol
LogP4.37
Rot. Bonds2

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

7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 46910571) has the molecular formula C25H22ClFN4O3 and a molecular weight of 480.93 g/mol. Its IUPAC name is 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID46910571
Molecular FormulaC25H22ClFN4O3
Molecular Weight480.93 g/mol
Exact Mass480.14
IUPAC Name7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(Cl)c(F)cc31)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C25H22ClFN4O3/c1-13-8-21-19(29-24(32)22-12-28-23(31(21)22)14-3-6-34-7-4-14)10-16(13)25(33)30-5-2-15-9-17(26)18(27)11-20(15)30/h8-12,14H,2-7H2,1H3,(H,29,32)
InChIKeyTZBRUFHXACIRGA-UHFFFAOYSA-N
XLogP4.37
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.93
LogP ≤ 54.37
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)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 46910571) is 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3cc(Cl)c(F)cc31)[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is TZBRUFHXACIRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN4O3/c1-13-8-21-19(29-24(32)22-12-28-23(31(21)22)14-3-6-34-7-4-14)10-16(13)25(33)30-5-2-15-9-17(26)18(27)11-20(15)30/h8-12,14H,2-7H2,1H3,(H,29,32).
What are the key properties of 7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 480.93 g/mol, XLogP of 4.37, 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)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 46910571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).