ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate

C15H14N2O2 — CID 749132

IUPACethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c3ccccc3ccn12
InChIInChI=1S/C15H14N2O2/c1-3-19-15(18)13-10(2)16-14-12-7-5-4-6-11(12)8-9-17(13)14/h4-9H,3H2,1-2H3
InChIKeyLQOBCPWHDVTSJV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.97
Rot. Bonds2

About ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate

ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate (PubChem CID 749132) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate
PubChem CID749132
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Nameethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(C)nc2c3ccccc3ccn12
InChIInChI=1S/C15H14N2O2/c1-3-19-15(18)13-10(2)16-14-12-7-5-4-6-11(12)8-9-17(13)14/h4-9H,3H2,1-2H3
InChIKeyLQOBCPWHDVTSJV-UHFFFAOYSA-N
XLogP2.97
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate?
The IUPAC name of ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate (CID 749132) is ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate?
The canonical SMILES for ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate is CCOC(=O)c1c(C)nc2c3ccccc3ccn12.
What is the InChIKey of ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate?
The InChIKey is LQOBCPWHDVTSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-19-15(18)13-10(2)16-14-12-7-5-4-6-11(12)8-9-17(13)14/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate?
ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate has a molecular weight of 254.29 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylimidazo[2,1-a]isoquinoline-3-carboxylate is sourced from PubChem (CID 749132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).