ethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate

C14H14BrNO3 — CID 619729

IUPACethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(Br)cc2c1=O
InChIInChI=1S/C14H14BrNO3/c1-3-16-8-11(14(18)19-4-2)13(17)10-7-9(15)5-6-12(10)16/h5-8H,3-4H2,1-2H3
InChIKeyFKOMJLCCCQQWKU-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.96
Rot. Bonds3

About ethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate

ethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate (PubChem CID 619729) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is ethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate
PubChem CID619729
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Nameethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(CC)c2ccc(Br)cc2c1=O
InChIInChI=1S/C14H14BrNO3/c1-3-16-8-11(14(18)19-4-2)13(17)10-7-9(15)5-6-12(10)16/h5-8H,3-4H2,1-2H3
InChIKeyFKOMJLCCCQQWKU-UHFFFAOYSA-N
XLogP2.96
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 6-bromo-1-ethyl-4-oxoquinoline-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-oxo-1,4-dihydroquinoline-3-carboxylate
CID 220876
Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 854165
Ethyl 1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 9817544
Ethyl 6-bromo-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 689824
Methyl 4-hydroxyquinoline-3-carboxylate
CID 279958
Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
CID 5140913
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
CID 947929
Ethyl 6,7-difluoro-4-oxo-1-propylquinoline-3-carboxylate
CID 947969
Ethyl 6-fluoro-4-hydroxyquinoline-3-carboxylate
CID 710779
Ethyl 1-methyl-4-oxo-1,4-dihydro-3-quinolinecarboxylate
CID 1532099
6-Bromo-1-ethyl-4-oxoquinoline-3-carboxylic acid
CID 764592

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate (CID 619729) is ethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(CC)c2ccc(Br)cc2c1=O.
What is the InChIKey of ethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate?
The InChIKey is FKOMJLCCCQQWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-3-16-8-11(14(18)19-4-2)13(17)10-7-9(15)5-6-12(10)16/h5-8H,3-4H2,1-2H3.
What are the key properties of ethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate?
ethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate has a molecular weight of 324.17 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-1-ethyl-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 619729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).