2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate

C16H14N2O4 — CID 155927218

IUPAC2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate
SMILESCCOC(=O)c1nc2c3ccccc3ccn2c1C(=O)OC
InChIInChI=1S/C16H14N2O4/c1-3-22-15(19)12-13(16(20)21-2)18-9-8-10-6-4-5-7-11(10)14(18)17-12/h4-9H,3H2,1-2H3
InChIKeyNYXZDTJMXGXAFP-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.45
Rot. Bonds3

About 2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate

2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate (PubChem CID 155927218) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate.

Molecular Properties

Compound Name2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate
PubChem CID155927218
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate
SMILESCCOC(=O)c1nc2c3ccccc3ccn2c1C(=O)OC
InChIInChI=1S/C16H14N2O4/c1-3-22-15(19)12-13(16(20)21-2)18-9-8-10-6-4-5-7-11(10)14(18)17-12/h4-9H,3H2,1-2H3
InChIKeyNYXZDTJMXGXAFP-UHFFFAOYSA-N
XLogP2.45
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(3-methoxy-3-oxoprop-1-enyl)sulfanylimidazo[2,1-a]isoquinoline-3-carboxylate
CID 1497267
ethyl 2-hydroxy-4-oxopyrimido[2,1-a]isoquinoline-3-carboxylate
CID 137251410
3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
CID 116984154
dimethyl pyrrolo[2,1-a]isoquinoline-2,3-dicarboxylate
CID 15349507
ethyl 3-amino-8-(hydroxymethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82355967
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82529178
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
methyl 3-(1-methoxycarbonylpyrrolo[2,1-a]isoquinolin-3-yl)pyrrolo[2,1-a]isoquinoline-1-carboxylate
CID 25189390
ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 171530837
ethyl 8-[(2,6-dimethylphenyl)methylamino]-3-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 22672581
1-O-ethyl 3-O-methyl 9H-pyrido[3,4-b]indole-1,3-dicarboxylate
CID 102040877

Frequently Asked Questions

What is the IUPAC name of 2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate?
The IUPAC name of 2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate (CID 155927218) is 2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate.
What is the SMILES notation for 2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate?
The canonical SMILES for 2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate is CCOC(=O)c1nc2c3ccccc3ccn2c1C(=O)OC.
What is the InChIKey of 2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate?
The InChIKey is NYXZDTJMXGXAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-3-22-15(19)12-13(16(20)21-2)18-9-8-10-6-4-5-7-11(10)14(18)17-12/h4-9H,3H2,1-2H3.
What are the key properties of 2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate?
2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate has a molecular weight of 298.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-ethyl 3-O-methyl imidazo[2,1-a]isoquinoline-2,3-dicarboxylate is sourced from PubChem (CID 155927218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).