ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate

C20H19NO2 — CID 125495045

IUPACethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate
SMILESCCOC(=O)c1c(C)cc(C)c2ncc(-c3ccccc3)cc12
InChIInChI=1S/C20H19NO2/c1-4-23-20(22)18-13(2)10-14(3)19-17(18)11-16(12-21-19)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3
InChIKeyFEIIDORMNAQTCK-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.70
Rot. Bonds3

About ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate

ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate (PubChem CID 125495045) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate
PubChem CID125495045
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Nameethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate
SMILESCCOC(=O)c1c(C)cc(C)c2ncc(-c3ccccc3)cc12
InChIInChI=1S/C20H19NO2/c1-4-23-20(22)18-13(2)10-14(3)19-17(18)11-16(12-21-19)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3
InChIKeyFEIIDORMNAQTCK-UHFFFAOYSA-N
XLogP4.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-acetyl-3-methyl-5-phenylbenzoate
CID 122378323
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 2-methyl-4-oxo-6-phenylchromene-3-carboxylate
CID 134867655
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
CID 14075368
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 2-aminoazulene-1-carboxylate
CID 11458568
4-ethoxycarbonyl-5-methoxy-6-phenylpyridine-3-carboxylate
CID 21441541
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906

Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate?
The IUPAC name of ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate (CID 125495045) is ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate.
What is the SMILES notation for ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate?
The canonical SMILES for ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate is CCOC(=O)c1c(C)cc(C)c2ncc(-c3ccccc3)cc12.
What is the InChIKey of ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate?
The InChIKey is FEIIDORMNAQTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-4-23-20(22)18-13(2)10-14(3)19-17(18)11-16(12-21-19)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate?
ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dimethyl-3-phenylquinoline-5-carboxylate is sourced from PubChem (CID 125495045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).