ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate

C19H14N2O4 — CID 15622490

IUPACethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(O)cc2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C19H14N2O4/c1-2-25-19(24)17-15-5-3-4-10-21(15)18(23)14(11-20)16(17)12-6-8-13(22)9-7-12/h3-10,22H,2H2,1H3
InChIKeyPOFSFQRWZBYFNI-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.72
Rot. Bonds3

About ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate

ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate (PubChem CID 15622490) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate
PubChem CID15622490
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Nameethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(O)cc2)c(C#N)c(=O)n2ccccc12
InChIInChI=1S/C19H14N2O4/c1-2-25-19(24)17-15-5-3-4-10-21(15)18(23)14(11-20)16(17)12-6-8-13(22)9-7-12/h3-10,22H,2H2,1H3
InChIKeyPOFSFQRWZBYFNI-UHFFFAOYSA-N
XLogP2.72
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate?
The IUPAC name of ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate (CID 15622490) is ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate?
The canonical SMILES for ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate is CCOC(=O)c1c(-c2ccc(O)cc2)c(C#N)c(=O)n2ccccc12.
What is the InChIKey of ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate?
The InChIKey is POFSFQRWZBYFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-2-25-19(24)17-15-5-3-4-10-21(15)18(23)14(11-20)16(17)12-6-8-13(22)9-7-12/h3-10,22H,2H2,1H3.
What are the key properties of ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate?
ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate has a molecular weight of 334.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyano-2-(4-hydroxyphenyl)-4-oxoquinolizine-1-carboxylate is sourced from PubChem (CID 15622490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).