7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

C25H23ClN4O3 — CID 58574988

IUPAC7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1c(C(=O)N2CCc3cc(Cl)ccc32)ccc2c1[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C25H23ClN4O3/c1-14-18(25(32)29-9-6-16-12-17(26)2-4-19(16)29)3-5-20-22(14)28-24(31)21-13-27-23(30(20)21)15-7-10-33-11-8-15/h2-5,12-13,15H,6-11H2,1H3,(H,28,31)
InChIKeyJYSVEAYFUPQQDD-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.23
Rot. Bonds2

About 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one

7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (PubChem CID 58574988) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
PubChem CID58574988
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC Name7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
SMILESCc1c(C(=O)N2CCc3cc(Cl)ccc32)ccc2c1[nH]c(=O)c1cnc(C3CCOCC3)n12
InChIInChI=1S/C25H23ClN4O3/c1-14-18(25(32)29-9-6-16-12-17(26)2-4-19(16)29)3-5-20-22(14)28-24(31)21-13-27-23(30(20)21)15-7-10-33-11-8-15/h2-5,12-13,15H,6-11H2,1H3,(H,28,31)
InChIKeyJYSVEAYFUPQQDD-UHFFFAOYSA-N
XLogP4.23
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(5-chloro-2,3-dihydroindole-1-carbonyl)-8-fluoro-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 56928918
8-chloro-7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;hydrochloride
CID 160864509
7-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575586
7-(5-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574947
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-(5-chloro-1,3-dihydroisoindole-2-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 46910392
7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one;methane
CID 161293984
7-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58575542
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
7-(5-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58574967
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-(5-chloro-6-fluoro-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 46910070

Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The IUPAC name of 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one (CID 58574988) is 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is Cc1c(C(=O)N2CCc3cc(Cl)ccc32)ccc2c1[nH]c(=O)c1cnc(C3CCOCC3)n12.
What is the InChIKey of 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
The InChIKey is JYSVEAYFUPQQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-14-18(25(32)29-9-6-16-12-17(26)2-4-19(16)29)3-5-20-22(14)28-24(31)21-13-27-23(30(20)21)15-7-10-33-11-8-15/h2-5,12-13,15H,6-11H2,1H3,(H,28,31).
What are the key properties of 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one?
7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 462.94 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2,3-dihydroindole-1-carbonyl)-6-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 58574988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).