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

C25H24N4O3 — CID 67133760

IUPAC7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1Cc3ccccc3C1)[nH]c(=O)c1cnc([C@H]3CCC[C@H]3O)n12
InChIInChI=1S/C25H24N4O3/c1-14-9-20-19(10-18(14)25(32)28-12-15-5-2-3-6-16(15)13-28)27-24(31)21-11-26-23(29(20)21)17-7-4-8-22(17)30/h2-3,5-6,9-11,17,22,30H,4,7-8,12-13H2,1H3,(H,27,31)/t17-,22+/m0/s1
InChIKeyBOIJFPORSXCWJF-HTAPYJJXSA-N
MW428.49 g/mol
LogP3.27
Rot. Bonds2

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

7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67133760) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID67133760
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1Cc3ccccc3C1)[nH]c(=O)c1cnc([C@H]3CCC[C@H]3O)n12
InChIInChI=1S/C25H24N4O3/c1-14-9-20-19(10-18(14)25(32)28-12-15-5-2-3-6-16(15)13-28)27-24(31)21-11-26-23(29(20)21)17-7-4-8-22(17)30/h2-3,5-6,9-11,17,22,30H,4,7-8,12-13H2,1H3,(H,27,31)/t17-,22+/m0/s1
InChIKeyBOIJFPORSXCWJF-HTAPYJJXSA-N
XLogP3.27
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575157
7-(5-chloro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 46910392
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
7-(1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-[(1S,2S)-2-phenylmethoxycyclopentyl]-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58574982
8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
CID 157372122
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
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
8-methyl-1-(oxan-4-yl)-7-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575561
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
7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575147
7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1,1-dihydroxythian-4-yl)methyl]-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one;hydrochloride
CID 67135513

Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one (CID 67133760) is 7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1Cc3ccccc3C1)[nH]c(=O)c1cnc([C@H]3CCC[C@H]3O)n12.
What is the InChIKey of 7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is BOIJFPORSXCWJF-HTAPYJJXSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-14-9-20-19(10-18(14)25(32)28-12-15-5-2-3-6-16(15)13-28)27-24(31)21-11-26-23(29(20)21)17-7-4-8-22(17)30/h2-3,5-6,9-11,17,22,30H,4,7-8,12-13H2,1H3,(H,27,31)/t17-,22+/m0/s1.
What are the key properties of 7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 428.49 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67133760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).