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

C24H23N5O3 — CID 58575482

IUPAC8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1cc2[nH]c(=O)c3nnc(C4CCOCC4)n3c2cc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C24H23N5O3/c1-14-12-18-20(13-17(14)24(31)28-9-6-15-4-2-3-5-19(15)28)29-21(16-7-10-32-11-8-16)26-27-22(29)23(30)25-18/h2-5,12-13,16H,6-11H2,1H3,(H,25,30)
InChIKeyLYEFYFSJSOJSHL-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.98
Rot. Bonds2

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

8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (PubChem CID 58575482) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
PubChem CID58575482
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
SMILESCc1cc2[nH]c(=O)c3nnc(C4CCOCC4)n3c2cc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C24H23N5O3/c1-14-12-18-20(13-17(14)24(31)28-9-6-15-4-2-3-5-19(15)28)29-21(16-7-10-32-11-8-16)26-27-22(29)23(30)25-18/h2-5,12-13,16H,6-11H2,1H3,(H,25,30)
InChIKeyLYEFYFSJSOJSHL-UHFFFAOYSA-N
XLogP2.98
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(2,3-dihydropyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58575354
8-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58575260
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
8-(2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58574968
2-[8-methyl-1-(oxan-4-yl)-4-oxo-5H-[1,2,4]triazolo[4,3-a]quinoxaline-7-carbonyl]-3,4-dihydro-1H-isoquinoline-8-carbonitrile
CID 58575198
7-(5-chloro-3,3-dimethyl-2H-indole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 46910388
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-(5-bromo-3,3-dimethyl-2H-pyrrolo[2,3-b]pyridine-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one;methane
CID 160853507
7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-[cyclopropyl(fluoro)methyl]-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 46910314
7-(5-chloro-2,3-dihydroindole-1-carbonyl)-1-(cyclopropylmethyl)-8-methyl-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58575332
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

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The IUPAC name of 8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one (CID 58575482) is 8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one.
What is the SMILES notation for 8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The canonical SMILES for 8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is Cc1cc2[nH]c(=O)c3nnc(C4CCOCC4)n3c2cc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
The InChIKey is LYEFYFSJSOJSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-14-12-18-20(13-17(14)24(31)28-9-6-15-4-2-3-5-19(15)28)29-21(16-7-10-32-11-8-16)26-27-22(29)23(30)25-18/h2-5,12-13,16H,6-11H2,1H3,(H,25,30).
What are the key properties of 8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one?
8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one has a molecular weight of 429.48 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one is sourced from PubChem (CID 58575482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).