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

C25H22F2N4O3 — CID 58575172

IUPAC7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1Cc3c(F)ccc(F)c3C1)[nH]c(=O)c1cnc(C3CCCOC3)n12
InChIInChI=1S/C25H22F2N4O3/c1-13-7-21-20(29-24(32)22-9-28-23(31(21)22)14-3-2-6-34-12-14)8-15(13)25(33)30-10-16-17(11-30)19(27)5-4-18(16)26/h4-5,7-9,14H,2-3,6,10-12H2,1H3,(H,29,32)
InChIKeyTYABEYFFINMVEW-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.81
Rot. Bonds2

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

7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58575172) has the molecular formula C25H22F2N4O3 and a molecular weight of 464.47 g/mol. Its IUPAC name is 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID58575172
Molecular FormulaC25H22F2N4O3
Molecular Weight464.47 g/mol
Exact Mass464.17
IUPAC Name7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1Cc3c(F)ccc(F)c3C1)[nH]c(=O)c1cnc(C3CCCOC3)n12
InChIInChI=1S/C25H22F2N4O3/c1-13-7-21-20(29-24(32)22-9-28-23(31(21)22)14-3-2-6-34-12-14)8-15(13)25(33)30-10-16-17(11-30)19(27)5-4-18(16)26/h4-5,7-9,14H,2-3,6,10-12H2,1H3,(H,29,32)
InChIKeyTYABEYFFINMVEW-UHFFFAOYSA-N
XLogP3.81
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 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) is 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-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-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1Cc3c(F)ccc(F)c3C1)[nH]c(=O)c1cnc(C3CCCOC3)n12.
What is the InChIKey of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is TYABEYFFINMVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O3/c1-13-7-21-20(29-24(32)22-9-28-23(31(21)22)14-3-2-6-34-12-14)8-15(13)25(33)30-10-16-17(11-30)19(27)5-4-18(16)26/h4-5,7-9,14H,2-3,6,10-12H2,1H3,(H,29,32).
What are the key properties of 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 464.47 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,7-difluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58575172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).