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

C26H25FN4O4 — CID 58575067

IUPAC7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOCc1cc2c(cc1C(=O)N1Cc3cccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C26H25FN4O4/c1-34-14-17-9-22-21(10-18(17)26(33)30-12-16-3-2-4-20(27)19(16)13-30)29-25(32)23-11-28-24(31(22)23)15-5-7-35-8-6-15/h2-4,9-11,15H,5-8,12-14H2,1H3,(H,29,32)
InChIKeyAWABZMFABRKTTI-UHFFFAOYSA-N
MW476.51 g/mol
LogP3.51
Rot. Bonds4

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

7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58575067) has the molecular formula C26H25FN4O4 and a molecular weight of 476.51 g/mol. Its IUPAC name is 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID58575067
Molecular FormulaC26H25FN4O4
Molecular Weight476.51 g/mol
Exact Mass476.19
IUPAC Name7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOCc1cc2c(cc1C(=O)N1Cc3cccc(F)c3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C26H25FN4O4/c1-34-14-17-9-22-21(10-18(17)26(33)30-12-16-3-2-4-20(27)19(16)13-30)29-25(32)23-11-28-24(31(22)23)15-5-7-35-8-6-15/h2-4,9-11,15H,5-8,12-14H2,1H3,(H,29,32)
InChIKeyAWABZMFABRKTTI-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 58575067) is 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-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-(methoxymethyl)-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-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is COCc1cc2c(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-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is AWABZMFABRKTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O4/c1-34-14-17-9-22-21(10-18(17)26(33)30-12-16-3-2-4-20(27)19(16)13-30)29-25(32)23-11-28-24(31(22)23)15-5-7-35-8-6-15/h2-4,9-11,15H,5-8,12-14H2,1H3,(H,29,32).
What are the key properties of 7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-(methoxymethyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(4-fluoro-1,3-dihydroisoindole-2-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 3.51, 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-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58575067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).