ethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate

C15H11N3O2 — CID 14067504

IUPACethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)c(C#N)cc1ccccc12
InChIInChI=1S/C15H11N3O2/c1-2-20-15(19)12-9-18-13-6-4-3-5-10(13)7-11(8-16)14(18)17-12/h3-7,9H,2H2,1H3
InChIKeyLTNHTSCFIRHPSI-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.54
Rot. Bonds2

About ethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate

ethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate (PubChem CID 14067504) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is ethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate
PubChem CID14067504
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Nameethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate
SMILESCCOC(=O)c1cn2c(n1)c(C#N)cc1ccccc12
InChIInChI=1S/C15H11N3O2/c1-2-20-15(19)12-9-18-13-6-4-3-5-10(13)7-11(8-16)14(18)17-12/h3-7,9H,2H2,1H3
InChIKeyLTNHTSCFIRHPSI-UHFFFAOYSA-N
XLogP2.54
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate?
The IUPAC name of ethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate (CID 14067504) is ethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate?
The canonical SMILES for ethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate is CCOC(=O)c1cn2c(n1)c(C#N)cc1ccccc12.
What is the InChIKey of ethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate?
The InChIKey is LTNHTSCFIRHPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-2-20-15(19)12-9-18-13-6-4-3-5-10(13)7-11(8-16)14(18)17-12/h3-7,9H,2H2,1H3.
What are the key properties of ethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate?
ethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate has a molecular weight of 265.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-cyanoimidazo[1,2-a]quinoline-2-carboxylate is sourced from PubChem (CID 14067504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).