5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate

C20H22N2O4 — CID 127044389

IUPAC5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate
SMILESCCOC(=O)c1ncn2c1c(C)c(C(=O)OC(C)(C)C)c1ccccc12
InChIInChI=1S/C20H22N2O4/c1-6-25-19(24)16-17-12(2)15(18(23)26-20(3,4)5)13-9-7-8-10-14(13)22(17)11-21-16/h7-11H,6H2,1-5H3
InChIKeySYRQLFBVPVQCAR-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.93
Rot. Bonds3

About 5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate

5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate (PubChem CID 127044389) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate.

Molecular Properties

Compound Name5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate
PubChem CID127044389
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate
SMILESCCOC(=O)c1ncn2c1c(C)c(C(=O)OC(C)(C)C)c1ccccc12
InChIInChI=1S/C20H22N2O4/c1-6-25-19(24)16-17-12(2)15(18(23)26-20(3,4)5)13-9-7-8-10-14(13)22(17)11-21-16/h7-11H,6H2,1-5H3
InChIKeySYRQLFBVPVQCAR-UHFFFAOYSA-N
XLogP3.93
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate?
The IUPAC name of 5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate (CID 127044389) is 5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate.
What is the SMILES notation for 5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate?
The canonical SMILES for 5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate is CCOC(=O)c1ncn2c1c(C)c(C(=O)OC(C)(C)C)c1ccccc12.
What is the InChIKey of 5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate?
The InChIKey is SYRQLFBVPVQCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-6-25-19(24)16-17-12(2)15(18(23)26-20(3,4)5)13-9-7-8-10-14(13)22(17)11-21-16/h7-11H,6H2,1-5H3.
What are the key properties of 5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate?
5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate has a molecular weight of 354.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-O-tert-butyl 3-O-ethyl 4-methylimidazo[1,5-a]quinoline-3,5-dicarboxylate is sourced from PubChem (CID 127044389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).