ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate

C12H9Br2NO3 — CID 1473534

IUPACethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(Br)cc(Br)c2[nH]c1=O
InChIInChI=1S/C12H9Br2NO3/c1-2-18-12(17)8-4-6-3-7(13)5-9(14)10(6)15-11(8)16/h3-5H,2H2,1H3,(H,15,16)
InChIKeyUFQHSUUUNALIBY-UHFFFAOYSA-N
MW375.02 g/mol
LogP3.23
Rot. Bonds2

About ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate

ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 1473534) has the molecular formula C12H9Br2NO3 and a molecular weight of 375.02 g/mol. Its IUPAC name is ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate
PubChem CID1473534
Molecular FormulaC12H9Br2NO3
Molecular Weight375.02 g/mol
Exact Mass372.89
IUPAC Nameethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1cc2cc(Br)cc(Br)c2[nH]c1=O
InChIInChI=1S/C12H9Br2NO3/c1-2-18-12(17)8-4-6-3-7(13)5-9(14)10(6)15-11(8)16/h3-5H,2H2,1H3,(H,15,16)
InChIKeyUFQHSUUUNALIBY-UHFFFAOYSA-N
XLogP3.23
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.02
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 6,8-dibromo-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate
CID 69516786
ethyl 7-bromo-6-fluoro-2-oxo-1H-quinoline-3-carboxylate
CID 118864590
ethyl 7-bromo-6-fluoro-8-iodo-2-oxo-1H-quinoline-3-carboxylate
CID 118864789
ethyl 6-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate
CID 142432270
ethyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate
CID 176243830
ethyl 6-bromo-4-chloro-7-fluoro-2-oxo-1H-quinoline-3-carboxylate
CID 176251794
ethyl 6-bromo-7-fluoro-2-oxo-1H-quinoline-3-carboxylate
CID 176333383
methyl 7-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate
CID 176988559
ethyl 6-bromo-8-fluoro-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 177188487
Ethyl 6-bromo-2-oxo-4-phenylhydroquinoline-3-carboxylate
CID 1102480
Ethyl 3-[(4-bromo-2-methylphenyl)amino]-3-oxopropanoate
CID 14150214
8-Bromoquinolonecarboxylic
CID 22690287

Frequently Asked Questions

What is the IUPAC name of ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate (CID 1473534) is ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate is CCOC(=O)c1cc2cc(Br)cc(Br)c2[nH]c1=O.
What is the InChIKey of ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is UFQHSUUUNALIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO3/c1-2-18-12(17)8-4-6-3-7(13)5-9(14)10(6)15-11(8)16/h3-5H,2H2,1H3,(H,15,16).
What are the key properties of ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate?
ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 375.02 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,8-dibromo-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 1473534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).