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

C26H25FN4O4 — CID 58575268

IUPAC7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOCc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C26H25FN4O4/c1-34-14-17-11-22-20(12-19(17)26(33)30-7-4-16-10-18(27)2-3-21(16)30)29-25(32)23-13-28-24(31(22)23)15-5-8-35-9-6-15/h2-3,10-13,15H,4-9,14H2,1H3,(H,29,32)
InChIKeyARBLLOXFXSEXED-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.56
Rot. Bonds4

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

7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58575268) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID58575268
Molecular FormulaC26H25FN4O4
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC Name7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOCc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C26H25FN4O4/c1-34-14-17-11-22-20(12-19(17)26(33)30-7-4-16-10-18(27)2-3-21(16)30)29-25(32)23-13-28-24(31(22)23)15-5-8-35-9-6-15/h2-3,10-13,15H,4-9,14H2,1H3,(H,29,32)
InChIKeyARBLLOXFXSEXED-UHFFFAOYSA-N
XLogP3.56
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 58575268) is 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is COCc1cc2c(cc1C(=O)N1CCc3cc(F)ccc31)[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is ARBLLOXFXSEXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-34-14-17-11-22-20(12-19(17)26(33)30-7-4-16-10-18(27)2-3-21(16)30)29-25(32)23-13-28-24(31(22)23)15-5-8-35-9-6-15/h2-3,10-13,15H,4-9,14H2,1H3,(H,29,32).
What are the key properties of 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 476.51 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58575268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).