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

C27H27ClN4O3 — CID 157372122

IUPAC8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
SMILESCl.O=C(c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1C1CC1)N1Cc2ccccc2C1
InChIInChI=1S/C27H26N4O3.ClH/c32-26-24-13-28-25(17-7-9-34-10-8-17)31(24)23-12-20(16-5-6-16)21(11-22(23)29-26)27(33)30-14-18-3-1-2-4-19(18)15-30;/h1-4,11-13,16-17H,5-10,14-15H2,(H,29,32);1H
InChIKeyBPOBYCKDCZGPNE-UHFFFAOYSA-N
MW490.99 g/mol
LogP4.53
Rot. Bonds3

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

8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride (PubChem CID 157372122) has the molecular formula C27H27ClN4O3 and a molecular weight of 490.99 g/mol. Its IUPAC name is 8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride.

Molecular Properties

Compound Name8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
PubChem CID157372122
Molecular FormulaC27H27ClN4O3
Molecular Weight490.99 g/mol
Exact Mass490.18
IUPAC Name8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
SMILESCl.O=C(c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1C1CC1)N1Cc2ccccc2C1
InChIInChI=1S/C27H26N4O3.ClH/c32-26-24-13-28-25(17-7-9-34-10-8-17)31(24)23-12-20(16-5-6-16)21(11-22(23)29-26)27(33)30-14-18-3-1-2-4-19(18)15-30;/h1-4,11-13,16-17H,5-10,14-15H2,(H,29,32);1H
InChIKeyBPOBYCKDCZGPNE-UHFFFAOYSA-N
XLogP4.53
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.99
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-7-(1,3-dihydroisoindole-2-carbonyl)-8-methoxy-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575157
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
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
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-(1,3-dihydroisoindole-2-carbonyl)-1-[(1R,2R)-2-hydroxycyclopentyl]-8-methyl-5H-imidazo[1,5-a]quinoxalin-4-one
CID 67133760
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-(4-fluoro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-3-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
CID 162340374
6-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carbonyl]-5,7-dihydro-4H-[1,2]oxazolo[5,4-c]pyridin-3-one
CID 58575395
methyl 8-methoxy-1-(oxan-4-yl)-4-oxo-5H-imidazo[1,5-a]quinoxaline-7-carboxylate
CID 58575132

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride?
The IUPAC name of 8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride (CID 157372122) is 8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride.
What is the SMILES notation for 8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride?
The canonical SMILES for 8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride is Cl.O=C(c1cc2[nH]c(=O)c3cnc(C4CCOCC4)n3c2cc1C1CC1)N1Cc2ccccc2C1.
What is the InChIKey of 8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride?
The InChIKey is BPOBYCKDCZGPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3.ClH/c32-26-24-13-28-25(17-7-9-34-10-8-17)31(24)23-12-20(16-5-6-16)21(11-22(23)29-26)27(33)30-14-18-3-1-2-4-19(18)15-30;/h1-4,11-13,16-17H,5-10,14-15H2,(H,29,32);1H.
What are the key properties of 8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride?
8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride has a molecular weight of 490.99 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-7-(1,3-dihydroisoindole-2-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride is sourced from PubChem (CID 157372122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).