ethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate

C19H17NO3 — CID 138970990

IUPACethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(C)c2)cc(=O)n2ccccc12
InChIInChI=1S/C19H17NO3/c1-3-23-19(22)18-15(14-8-6-7-13(2)11-14)12-17(21)20-10-5-4-9-16(18)20/h4-12H,3H2,1-2H3
InChIKeyHKDIDZSYFZKFLI-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.45
Rot. Bonds3

About ethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate

ethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate (PubChem CID 138970990) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate
PubChem CID138970990
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Nameethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(C)c2)cc(=O)n2ccccc12
InChIInChI=1S/C19H17NO3/c1-3-23-19(22)18-15(14-8-6-7-13(2)11-14)12-17(21)20-10-5-4-9-16(18)20/h4-12H,3H2,1-2H3
InChIKeyHKDIDZSYFZKFLI-UHFFFAOYSA-N
XLogP3.45
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-methylphenyl)-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 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate?
The IUPAC name of ethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate (CID 138970990) is ethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate.
What is the SMILES notation for ethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate?
The canonical SMILES for ethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate is CCOC(=O)c1c(-c2cccc(C)c2)cc(=O)n2ccccc12.
What is the InChIKey of ethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate?
The InChIKey is HKDIDZSYFZKFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-3-23-19(22)18-15(14-8-6-7-13(2)11-14)12-17(21)20-10-5-4-9-16(18)20/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate?
ethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylphenyl)-4-oxoquinolizine-1-carboxylate is sourced from PubChem (CID 138970990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).