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

C18H14BrNO3 — CID 3022164

IUPACethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C18H14BrNO3/c1-2-23-18(22)15-16(11-6-4-3-5-7-11)20-14-9-8-12(19)10-13(14)17(15)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeyIFFQAIXYUJSVNJ-UHFFFAOYSA-N
MW372.22 g/mol
LogP4.13
Rot. Bonds3

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

ethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate (PubChem CID 3022164) has the molecular formula C18H14BrNO3 and a molecular weight of 372.22 g/mol. Its IUPAC name is ethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
PubChem CID3022164
Molecular FormulaC18H14BrNO3
Molecular Weight372.22 g/mol
Exact Mass371.02
IUPAC Nameethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C18H14BrNO3/c1-2-23-18(22)15-16(11-6-4-3-5-7-11)20-14-9-8-12(19)10-13(14)17(15)21/h3-10H,2H2,1H3,(H,20,21)
InChIKeyIFFQAIXYUJSVNJ-UHFFFAOYSA-N
XLogP4.13
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 6-bromo-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

Related Compounds

Ethyl 4-hydroxy-2-methylquinoline-3-carboxylate
CID 2986317
Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 689824
Ethyl 6-bromo-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 619729
ethyl 6-ethyl-2-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 11521754
Ethyl 7-bromo-4-hydroxyquinoline-3-carboxylate
CID 683685
6-Bromo-4-hydroxyquinoline-3-carboxylic acid
CID 693203
6-Bromo-3-ethoxycarbonyl-2-methyl-4-quinolone
CID 11616547
ethyl 2-heptyl-4-oxo-1H-quinoline-3-carboxylate
CID 90670723
ethyl 2-(4-bromophenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209411
ethyl 4-oxo-2-phenyl-1H-quinoline-3-carboxylate
CID 289858
3-Quinolinecarboxylic acid, 4-hydroxy-6-methyl-2-phenyl-, ethyl ester
CID 3022162
3-Quinolinecarboxylic acid, 6-fluoro-4-hydroxy-2-phenyl-, ethyl ester
CID 3022163

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate (CID 3022164) is ethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)[nH]c2ccc(Br)cc2c1=O.
What is the InChIKey of ethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
The InChIKey is IFFQAIXYUJSVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrNO3/c1-2-23-18(22)15-16(11-6-4-3-5-7-11)20-14-9-8-12(19)10-13(14)17(15)21/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of ethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate?
ethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate has a molecular weight of 372.22 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-4-oxo-2-phenyl-1H-quinoline-3-carboxylate is sourced from PubChem (CID 3022164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).