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

C25H23FN4O4 — CID 56928917

IUPAC7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOCc1cc2c(cc1C(=O)N1Cc3cccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOC3)n12
InChIInChI=1S/C25H23FN4O4/c1-33-12-16-7-21-20(28-24(31)22-9-27-23(30(21)22)15-5-6-34-13-15)8-17(16)25(32)29-10-14-3-2-4-19(26)18(14)11-29/h2-4,7-9,15H,5-6,10-13H2,1H3,(H,28,31)
InChIKeyHKFSXLUYVLITOI-UHFFFAOYSA-N
MW462.48 g/mol
LogP3.12
Rot. Bonds4

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

7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 56928917) has the molecular formula C25H23FN4O4 and a molecular weight of 462.48 g/mol. Its IUPAC name is 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID56928917
Molecular FormulaC25H23FN4O4
Molecular Weight462.48 g/mol
Exact Mass462.17
IUPAC Name7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOCc1cc2c(cc1C(=O)N1Cc3cccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOC3)n12
InChIInChI=1S/C25H23FN4O4/c1-33-12-16-7-21-20(28-24(31)22-9-27-23(30(21)22)15-5-6-34-13-15)8-17(16)25(32)29-10-14-3-2-4-19(26)18(14)11-29/h2-4,7-9,15H,5-6,10-13H2,1H3,(H,28,31)
InChIKeyHKFSXLUYVLITOI-UHFFFAOYSA-N
XLogP3.12
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 56928917) is 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is COCc1cc2c(cc1C(=O)N1Cc3cccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOC3)n12.
What is the InChIKey of 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is HKFSXLUYVLITOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4/c1-33-12-16-7-21-20(28-24(31)22-9-27-23(30(21)22)15-5-6-34-13-15)8-17(16)25(32)29-10-14-3-2-4-19(26)18(14)11-29/h2-4,7-9,15H,5-6,10-13H2,1H3,(H,28,31).
What are the key properties of 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 462.48 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 56928917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).