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

C25H22F2N4O4 — CID 56928816

IUPAC7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOCc1cc2c(cc1C(=O)N1Cc3c(F)ccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOC3)n12
InChIInChI=1S/C25H22F2N4O4/c1-34-11-14-6-21-20(29-24(32)22-8-28-23(31(21)22)13-4-5-35-12-13)7-15(14)25(33)30-9-16-17(10-30)19(27)3-2-18(16)26/h2-3,6-8,13H,4-5,9-12H2,1H3,(H,29,32)
InChIKeyOXLFDEUDYBSCLF-UHFFFAOYSA-N
MW480.47 g/mol
LogP3.26
Rot. Bonds4

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

7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 56928816) has the molecular formula C25H22F2N4O4 and a molecular weight of 480.47 g/mol. Its IUPAC name is 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID56928816
Molecular FormulaC25H22F2N4O4
Molecular Weight480.47 g/mol
Exact Mass480.16
IUPAC Name7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOCc1cc2c(cc1C(=O)N1Cc3c(F)ccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOC3)n12
InChIInChI=1S/C25H22F2N4O4/c1-34-11-14-6-21-20(29-24(32)22-8-28-23(31(21)22)13-4-5-35-12-13)7-15(14)25(33)30-9-16-17(10-30)19(27)3-2-18(16)26/h2-3,6-8,13H,4-5,9-12H2,1H3,(H,29,32)
InChIKeyOXLFDEUDYBSCLF-UHFFFAOYSA-N
XLogP3.26
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 56928816) is 7-(4,7-difluoro-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-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is COCc1cc2c(cc1C(=O)N1Cc3c(F)ccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOC3)n12.
What is the InChIKey of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is OXLFDEUDYBSCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O4/c1-34-11-14-6-21-20(29-24(32)22-8-28-23(31(21)22)13-4-5-35-12-13)7-15(14)25(33)30-9-16-17(10-30)19(27)3-2-18(16)26/h2-3,6-8,13H,4-5,9-12H2,1H3,(H,29,32).
What are the key properties of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 480.47 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 56928816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).