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

C26H25FN4O3 — CID 58575009

IUPAC7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3ccc(F)cc3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C26H25FN4O3/c1-15-10-22-21(29-25(32)23-13-28-24(31(22)23)17-5-8-34-9-6-17)12-20(15)26(33)30-7-4-16-2-3-19(27)11-18(16)14-30/h2-3,10-13,17H,4-9,14H2,1H3,(H,29,32)
InChIKeyBSZLMAQADBXWCY-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.72
Rot. Bonds2

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

7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58575009) has the molecular formula C26H25FN4O3 and a molecular weight of 460.51 g/mol. Its IUPAC name is 7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID58575009
Molecular FormulaC26H25FN4O3
Molecular Weight460.51 g/mol
Exact Mass460.19
IUPAC Name7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1CCc3ccc(F)cc3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C26H25FN4O3/c1-15-10-22-21(29-25(32)23-13-28-24(31(22)23)17-5-8-34-9-6-17)12-20(15)26(33)30-7-4-16-2-3-19(27)11-18(16)14-30/h2-3,10-13,17H,4-9,14H2,1H3,(H,29,32)
InChIKeyBSZLMAQADBXWCY-UHFFFAOYSA-N
XLogP3.72
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 58575009) is 7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1CCc3ccc(F)cc3C1)[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is BSZLMAQADBXWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3/c1-15-10-22-21(29-25(32)23-13-28-24(31(22)23)17-5-8-34-9-6-17)12-20(15)26(33)30-7-4-16-2-3-19(27)11-18(16)14-30/h2-3,10-13,17H,4-9,14H2,1H3,(H,29,32).
What are the key properties of 7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 460.51 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-fluoro-3,4-dihydro-1H-isoquinoline-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58575009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).