ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate

C24H22N2O4 — CID 127044085

IUPACethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)Cc1c(-c2ccccc2)c2ccccc2n2cnc(C(=O)OCC)c12
InChIInChI=1S/C24H22N2O4/c1-3-29-20(27)14-18-21(16-10-6-5-7-11-16)17-12-8-9-13-19(17)26-15-25-22(23(18)26)24(28)30-4-2/h5-13,15H,3-4,14H2,1-2H3
InChIKeyAMAULDQIODOUNQ-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.44
Rot. Bonds6

About ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate

ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate (PubChem CID 127044085) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate
PubChem CID127044085
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Nameethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate
SMILESCCOC(=O)Cc1c(-c2ccccc2)c2ccccc2n2cnc(C(=O)OCC)c12
InChIInChI=1S/C24H22N2O4/c1-3-29-20(27)14-18-21(16-10-6-5-7-11-16)17-12-8-9-13-19(17)26-15-25-22(23(18)26)24(28)30-4-2/h5-13,15H,3-4,14H2,1-2H3
InChIKeyAMAULDQIODOUNQ-UHFFFAOYSA-N
XLogP4.44
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate?
The IUPAC name of ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate (CID 127044085) is ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate?
The canonical SMILES for ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate is CCOC(=O)Cc1c(-c2ccccc2)c2ccccc2n2cnc(C(=O)OCC)c12.
What is the InChIKey of ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate?
The InChIKey is AMAULDQIODOUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-3-29-20(27)14-18-21(16-10-6-5-7-11-16)17-12-8-9-13-19(17)26-15-25-22(23(18)26)24(28)30-4-2/h5-13,15H,3-4,14H2,1-2H3.
What are the key properties of ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate?
ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate has a molecular weight of 402.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethoxy-2-oxoethyl)-5-phenylimidazo[1,5-a]quinoline-3-carboxylate is sourced from PubChem (CID 127044085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).