ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate

C19H17NO3 — CID 3022162

IUPACethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C19H17NO3/c1-3-23-19(22)16-17(13-7-5-4-6-8-13)20-15-10-9-12(2)11-14(15)18(16)21/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyXQNCNNSVKCCNPJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.68
Rot. Bonds3

About ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate

ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate (PubChem CID 3022162) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
PubChem CID3022162
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Nameethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c2ccc(C)cc2c1=O
InChIInChI=1S/C19H17NO3/c1-3-23-19(22)16-17(13-7-5-4-6-8-13)20-15-10-9-12(2)11-14(15)18(16)21/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyXQNCNNSVKCCNPJ-UHFFFAOYSA-N
XLogP3.68
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-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 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate (CID 3022162) is ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)[nH]c2ccc(C)cc2c1=O.
What is the InChIKey of ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
The InChIKey is XQNCNNSVKCCNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-3-23-19(22)16-17(13-7-5-4-6-8-13)20-15-10-9-12(2)11-14(15)18(16)21/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-oxo-2-phenyl-1H-quinoline-3-carboxylate is sourced from PubChem (CID 3022162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).