ethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate

C20H16N2O2 — CID 14460559

IUPACethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1cc(-c1ccccc1)c1ccccc12
InChIInChI=1S/C20H16N2O2/c1-2-24-20(23)19-18-12-16(14-8-4-3-5-9-14)15-10-6-7-11-17(15)22(18)13-21-19/h3-13H,2H2,1H3
InChIKeyUKRCIKWVIFYLRE-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.33
Rot. Bonds3

About ethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate

ethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 14460559) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate
PubChem CID14460559
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Nameethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)c1ncn2c1cc(-c1ccccc1)c1ccccc12
InChIInChI=1S/C20H16N2O2/c1-2-24-20(23)19-18-12-16(14-8-4-3-5-9-14)15-10-6-7-11-17(15)22(18)13-21-19/h3-13H,2H2,1H3
InChIKeyUKRCIKWVIFYLRE-UHFFFAOYSA-N
XLogP4.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate (CID 14460559) is ethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate is CCOC(=O)c1ncn2c1cc(-c1ccccc1)c1ccccc12.
What is the InChIKey of ethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is UKRCIKWVIFYLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-2-24-20(23)19-18-12-16(14-8-4-3-5-9-14)15-10-6-7-11-17(15)22(18)13-21-19/h3-13H,2H2,1H3.
What are the key properties of ethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate?
ethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenylimidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 14460559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).