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

C23H22N6O4 — CID 58574968

IUPAC8-(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
SMILESCc1cc2[nH]c(=O)c3nnc(C4CCOCC4)n3c2cc1C(=O)N1CCOc2cccnc21
InChIInChI=1S/C23H22N6O4/c1-13-11-16-17(12-15(13)23(31)28-7-10-33-18-3-2-6-24-20(18)28)29-19(14-4-8-32-9-5-14)26-27-21(29)22(30)25-16/h2-3,6,11-12,14H,4-5,7-10H2,1H3,(H,25,30)
InChIKeyXTKKCUKJLFEBAQ-UHFFFAOYSA-N
MW446.47 g/mol
LogP2.21
Rot. Bonds2

About 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

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 (PubChem CID 58574968) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name8-(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
PubChem CID58574968
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Name8-(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
SMILESCc1cc2[nH]c(=O)c3nnc(C4CCOCC4)n3c2cc1C(=O)N1CCOc2cccnc21
InChIInChI=1S/C23H22N6O4/c1-13-11-16-17(12-15(13)23(31)28-7-10-33-18-3-2-6-24-20(18)28)29-19(14-4-8-32-9-5-14)26-27-21(29)22(30)25-16/h2-3,6,11-12,14H,4-5,7-10H2,1H3,(H,25,30)
InChIKeyXTKKCUKJLFEBAQ-UHFFFAOYSA-N
XLogP2.21
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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-(2,3-dihydroindole-1-carbonyl)-7-methyl-1-(oxan-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxalin-4-one
CID 58575482
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-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-(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-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-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
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-bromo-2,3-dihydroindole-1-carbonyl)-8-methyl-1-(oxan-4-yl)-5H-imidazo[1,5-a]quinoxalin-4-one
CID 58574947
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-(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2[nH]c(=O)c3nnc(C4CCOCC4)n3c2cc1C(=O)N1CCOc2cccnc21.
What is the InChIKey of 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?
The InChIKey is XTKKCUKJLFEBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-13-11-16-17(12-15(13)23(31)28-7-10-33-18-3-2-6-24-20(18)28)29-19(14-4-8-32-9-5-14)26-27-21(29)22(30)25-16/h2-3,6,11-12,14H,4-5,7-10H2,1H3,(H,25,30).
What are the key properties of 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?
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 has a molecular weight of 446.47 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58574968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).