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

C26H26N4O3 — CID 58575157

IUPAC1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1cc2c(cc1C(=O)N1Cc3ccccc3C1)[nH]c(=O)c1cnc(C3CCCCC3)n12
InChIInChI=1S/C26H26N4O3/c1-33-23-12-21-20(11-19(23)26(32)29-14-17-9-5-6-10-18(17)15-29)28-25(31)22-13-27-24(30(21)22)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14-15H2,1H3,(H,28,31)
InChIKeyQBUDVCJHWAJHOI-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.39
Rot. Bonds3

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

1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58575157) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is 1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID58575157
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC Name1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCOc1cc2c(cc1C(=O)N1Cc3ccccc3C1)[nH]c(=O)c1cnc(C3CCCCC3)n12
InChIInChI=1S/C26H26N4O3/c1-33-23-12-21-20(11-19(23)26(32)29-14-17-9-5-6-10-18(17)15-29)28-25(31)22-13-27-24(30(21)22)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14-15H2,1H3,(H,28,31)
InChIKeyQBUDVCJHWAJHOI-UHFFFAOYSA-N
XLogP4.39
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one with MolForge

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Related Compounds

8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
CID 157372122
7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 67133760
methyl 8-methoxy-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylate
CID 58575132
7-(5-chloro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 46910392
8-methyl-7-(4-methyl-1,3-dihydroisoindole-2-carbonyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575436
1-cyclohexyl-8-(4-methylpiperazine-1-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 59198890
7-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
CID 162340374
8-methyl-1-(oxan-4-yl)-7-(1,3,4,9-tetrahydroindeno[2,1-c]pyridine-2-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575500
(1-cyclohexyl-4-oxo-5H-imidazo[1,5-a]quinoxalin-8-yl) hydrogen carbonate
CID 118872383
8-chloro-1-cyclohexyl-N,N-diethyl-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxamide
CID 59198866
8-methyl-1-(oxan-4-yl)-7-[5-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575540
1-cyclohexyl-8-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-5H-imidazo[1,5-a]quinoxalin-4-one
CID 59198755

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one (CID 58575157) is 1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one is COc1cc2c(cc1C(=O)N1Cc3ccccc3C1)[nH]c(=O)c1cnc(C3CCCCC3)n12.
What is the InChIKey of 1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is QBUDVCJHWAJHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c1-33-23-12-21-20(11-19(23)26(32)29-14-17-9-5-6-10-18(17)15-29)28-25(31)22-13-27-24(30(21)22)16-7-3-2-4-8-16/h5-6,9-13,16H,2-4,7-8,14-15H2,1H3,(H,28,31).
What are the key properties of 1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one?
1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 442.52 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58575157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).