5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate

C17H17N3O5 — CID 70246004

IUPAC5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)n(C(=O)OC(C)(C)C)c(=O)c1cncn12
InChIInChI=1S/C17H17N3O5/c1-17(2,3)25-16(23)20-12-7-10(15(22)24-4)5-6-11(12)19-9-18-8-13(19)14(20)21/h5-9H,1-4H3
InChIKeyWIMURLJJWAOJJN-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.22
Rot. Bonds1

About 5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate

5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate (PubChem CID 70246004) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate.

Molecular Properties

Compound Name5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate
PubChem CID70246004
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)n(C(=O)OC(C)(C)C)c(=O)c1cncn12
InChIInChI=1S/C17H17N3O5/c1-17(2,3)25-16(23)20-12-7-10(15(22)24-4)5-6-11(12)19-9-18-8-13(19)14(20)21/h5-9H,1-4H3
InChIKeyWIMURLJJWAOJJN-UHFFFAOYSA-N
XLogP2.22
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-O-tert-butyl 5-O-methyl benzotriazole-1,5-dicarboxylate;1-O-tert-butyl 6-O-methyl benzotriazole-1,6-dicarboxylate
CID 162068541
1-O-tert-butyl 2-O-ethyl 5-O-methyl 3-aminoindole-1,2,5-tricarboxylate
CID 171805338
1-O-tert-butyl 6-O-methyl 3-iodoindole-1,6-dicarboxylate
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1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate
CID 138644315
methyl 3-iodo-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazole-5-carboxylate
CID 118322422
1-O-tert-butyl 5-O-methyl 3-[(4-fluorobenzoyl)amino]indazole-1,5-dicarboxylate
CID 122584383
CID 142547619
CID 142547619
1-O-tert-butyl 5-O-methyl 3-(2-aminoethyl)indole-1,5-dicarboxylate;hydrochloride
CID 18526246
tert-butyl N-(4-chloroimidazo[1,5-a]quinoxalin-7-yl)carbamate
CID 104892182
tert-butyl 4-(4-methoxycarbonyl-2-methylphenyl)piperazine-1-carboxylate
CID 67048475
6-O-tert-butyl 3-O-methyl 5,7-dihydropyrrolo[3,4-b]pyridine-3,6-dicarboxylate
CID 71433196
tert-butyl 6-(2,6-dimethyl-4-pyridinyl)-2-(3-methoxycarbonylphenyl)-3-methylindole-1-carboxylate
CID 164554027

Frequently Asked Questions

What is the IUPAC name of 5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate?
The IUPAC name of 5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate (CID 70246004) is 5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate.
What is the SMILES notation for 5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate?
The canonical SMILES for 5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate is COC(=O)c1ccc2c(c1)n(C(=O)OC(C)(C)C)c(=O)c1cncn12.
What is the InChIKey of 5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate?
The InChIKey is WIMURLJJWAOJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-17(2,3)25-16(23)20-12-7-10(15(22)24-4)5-6-11(12)19-9-18-8-13(19)14(20)21/h5-9H,1-4H3.
What are the key properties of 5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate?
5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate has a molecular weight of 343.34 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate is sourced from PubChem (CID 70246004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).