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

C25H23FN4O3 — CID 46910483

IUPAC7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1cnc(C3CCCOC3)n12
InChIInChI=1S/C25H23FN4O3/c1-14-9-21-19(11-18(14)25(32)29-7-6-15-10-17(26)4-5-20(15)29)28-24(31)22-12-27-23(30(21)22)16-3-2-8-33-13-16/h4-5,9-12,16H,2-3,6-8,13H2,1H3,(H,28,31)
InChIKeyKCMFPUNQQMHURW-UHFFFAOYSA-N
MW446.48 g/mol
LogP3.72
Rot. Bonds2

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

7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 46910483) has the molecular formula C25H23FN4O3 and a molecular weight of 446.48 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID46910483
Molecular FormulaC25H23FN4O3
Molecular Weight446.48 g/mol
Exact Mass446.18
IUPAC Name7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1cnc(C3CCCOC3)n12
InChIInChI=1S/C25H23FN4O3/c1-14-9-21-19(11-18(14)25(32)29-7-6-15-10-17(26)4-5-20(15)29)28-24(31)22-12-27-23(30(21)22)16-3-2-8-33-13-16/h4-5,9-12,16H,2-3,6-8,13H2,1H3,(H,28,31)
InChIKeyKCMFPUNQQMHURW-UHFFFAOYSA-N
XLogP3.72
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 46910483) is 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1cnc(C3CCCOC3)n12.
What is the InChIKey of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is KCMFPUNQQMHURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O3/c1-14-9-21-19(11-18(14)25(32)29-7-6-15-10-17(26)4-5-20(15)29)28-24(31)22-12-27-23(30(21)22)16-3-2-8-33-13-16/h4-5,9-12,16H,2-3,6-8,13H2,1H3,(H,28,31).
What are the key properties of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 446.48 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 46910483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).