ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate

C12H9BrClNO3 — CID 2797073

IUPACethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O
InChIInChI=1S/C12H9BrClNO3/c1-2-18-12(17)8-5-15-10-7(11(8)16)3-6(13)4-9(10)14/h3-5H,2H2,1H3,(H,15,16)
InChIKeyMIAXLCWSDBLVNU-UHFFFAOYSA-N
MW330.57 g/mol
LogP3.12
Rot. Bonds2

About ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate

ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 2797073) has the molecular formula C12H9BrClNO3 and a molecular weight of 330.57 g/mol. Its IUPAC name is ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate
PubChem CID2797073
Molecular FormulaC12H9BrClNO3
Molecular Weight330.57 g/mol
Exact Mass328.95
IUPAC Nameethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O
InChIInChI=1S/C12H9BrClNO3/c1-2-18-12(17)8-5-15-10-7(11(8)16)3-6(13)4-9(10)14/h3-5H,2H2,1H3,(H,15,16)
InChIKeyMIAXLCWSDBLVNU-UHFFFAOYSA-N
XLogP3.12
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 6-bromo-8-chloro-4-oxo-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

6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylic acid
CID 43532027
ethyl 7-bromo-6-chloro-4-oxo-8-(2,2,2-trifluoroethoxy)-1H-quinoline-3-carboxylate
CID 162353399
ethyl 2-chloro-4-oxo-7H-thieno[2,3-b]pyridine-5-carboxylate
CID 13217735
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315
ethyl 8-bromo-5-chloro-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 104725011
8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide
CID 121237264
ethane;ethyl 8-(hydroxymethyl)-6-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 143454813
ethyl 2,5-dibromo-3-chlorobenzoate
CID 114374037
ethyl 7,8-dimethoxy-4-oxo-1H-quinoline-3-carboxylate
CID 86732817
ethyl 7-bromo-6-cyclopropyl-8-(difluoromethoxy)-4-oxo-1H-quinoline-3-carboxylate
CID 70114274
ethyl 7-chloro-6-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733849
ethyl 5-bromo-7-chloro-3-formyl-1H-indole-2-carboxylate
CID 5133000

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate (CID 2797073) is ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1c[nH]c2c(Cl)cc(Br)cc2c1=O.
What is the InChIKey of ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is MIAXLCWSDBLVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO3/c1-2-18-12(17)8-5-15-10-7(11(8)16)3-6(13)4-9(10)14/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate?
ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 330.57 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-8-chloro-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 2797073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).