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

C25H23FN4O4 — CID 58574959

IUPAC7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1cc2c(cc1C(=O)N1Cc3cccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C25H23FN4O4/c1-33-22-10-20-19(9-16(22)25(32)29-12-15-3-2-4-18(26)17(15)13-29)28-24(31)21-11-27-23(30(20)21)14-5-7-34-8-6-14/h2-4,9-11,14H,5-8,12-13H2,1H3,(H,28,31)
InChIKeyAABLVJKKYKRWEL-UHFFFAOYSA-N
MW462.48 g/mol
LogP3.37
Rot. Bonds3

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

7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58574959) 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-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID58574959
Molecular FormulaC25H23FN4O4
Molecular Weight462.48 g/mol
Exact Mass462.17
IUPAC Name7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1cc2c(cc1C(=O)N1Cc3cccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C25H23FN4O4/c1-33-22-10-20-19(9-16(22)25(32)29-12-15-3-2-4-18(26)17(15)13-29)28-24(31)21-11-27-23(30(20)21)14-5-7-34-8-6-14/h2-4,9-11,14H,5-8,12-13H2,1H3,(H,28,31)
InChIKeyAABLVJKKYKRWEL-UHFFFAOYSA-N
XLogP3.37
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclohexyl-8-methoxy-N,N-dimethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 59198590
1-(7-imidazol-1-yl-4-methoxy-1H-indol-3-yl)-2-[4-(1-isoquinolyl)piperazin-1-yl]ethane-1,2-dione
CID 5279743
4-[2-[3-(2-fluoro-4-pyridinyl)-4-methylanilino]-1-methylbenzimidazol-5-yl]oxy-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 22040667
4-[2-[3-(2-fluoro-4-pyridinyl)-4-methylanilino]-1-methylbenzimidazol-5-yl]oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 22041356
1-cyclohexyl-N,N-dimethyl-4-oxo-8-(trifluoromethoxy)-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 24990170
8-[2-(dimethylamino)ethoxy]-7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 46910573
8-fluoro-7-[(5-methoxy-2,3-dihydro-1H-pyrrolo[2,3-c]pyridin-1-yl)carbonyl]-1-(tetrahydro-2H-pyran-4-yl)imidazo[1,5-a]quinoxalin-4(5H)-one
CID 56928710
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
7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 56928917
7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575067
7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575172
7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575268

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 58574959) is 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is COc1cc2c(cc1C(=O)N1Cc3cccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is AABLVJKKYKRWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O4/c1-33-22-10-20-19(9-16(22)25(32)29-12-15-3-2-4-18(26)17(15)13-29)28-24(31)21-11-27-23(30(20)21)14-5-7-34-8-6-14/h2-4,9-11,14H,5-8,12-13H2,1H3,(H,28,31).
What are the key properties of 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 462.48 g/mol, XLogP of 3.37, 3 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-methoxy-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58574959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).