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

C26H26N4O4 — CID 58575147

IUPAC7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1c3ccccc3CC1CO)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C26H26N4O4/c1-15-10-22-20(28-25(32)23-13-27-24(30(22)23)16-6-8-34-9-7-16)12-19(15)26(33)29-18(14-31)11-17-4-2-3-5-21(17)29/h2-5,10,12-13,16,18,31H,6-9,11,14H2,1H3,(H,28,32)
InChIKeyAWRHZTDHWJBEMJ-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.94
Rot. Bonds3

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

7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58575147) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID58575147
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1cc2c(cc1C(=O)N1c3ccccc3CC1CO)[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C26H26N4O4/c1-15-10-22-20(28-25(32)23-13-27-24(30(22)23)16-6-8-34-9-7-16)12-19(15)26(33)29-18(14-31)11-17-4-2-3-5-21(17)29/h2-5,10,12-13,16,18,31H,6-9,11,14H2,1H3,(H,28,32)
InChIKeyAWRHZTDHWJBEMJ-UHFFFAOYSA-N
XLogP2.94
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(spiro[2,3-dihydro-1H-naphthalene-4,3'-piperidine]-1'-carbonyl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575561
7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574947
8-methyl-7-(4-methyl-1,3-dihydroisoindole-2-carbonyl)-1-(oxolan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575436
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
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-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575017
7-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575011
7-[3-(4-chlorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575324
8-methyl-1-(oxan-3-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylic acid
CID 58574974
methyl 8-methoxy-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylate
CID 58575132
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

Frequently Asked Questions

What is the IUPAC name of 7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 58575147) is 7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1cc2c(cc1C(=O)N1c3ccccc3CC1CO)[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is AWRHZTDHWJBEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-15-10-22-20(28-25(32)23-13-27-24(30(22)23)16-6-8-34-9-7-16)12-19(15)26(33)29-18(14-31)11-17-4-2-3-5-21(17)29/h2-5,10,12-13,16,18,31H,6-9,11,14H2,1H3,(H,28,32).
What are the key properties of 7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 458.52 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(hydroxymethyl)-2,3-dihydroindole-1-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58575147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).