ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate

C14H14BrNO3 — CID 19735211

IUPACethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(CC)cc(Br)cc2[nH]1
InChIInChI=1S/C14H14BrNO3/c1-3-8-5-9(15)6-10-13(8)12(17)7-11(16-10)14(18)19-4-2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyKIGVMGGSKQAQDF-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.03
Rot. Bonds3

About ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate

ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate (PubChem CID 19735211) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
PubChem CID19735211
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Nameethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
SMILESCCOC(=O)c1cc(=O)c2c(CC)cc(Br)cc2[nH]1
InChIInChI=1S/C14H14BrNO3/c1-3-8-5-9(15)6-10-13(8)12(17)7-11(16-10)14(18)19-4-2/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyKIGVMGGSKQAQDF-UHFFFAOYSA-N
XLogP3.03
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-chloro-5-ethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19735198
ethyl 1,2,5-trimethyl-9-oxo-3,6-dihydropyrrolo[3,2-f]quinoline-7-carboxylate
CID 91735958
ethyl 4-oxo-5-propan-2-yl-1H-quinoline-2-carboxylate
CID 19735183
ethyl 4-bromo-1H-pyrrole-2-carboxylate
CID 5324607
5,7-dibromo-4-oxo-1H-quinoline-2-carboxylic acid
CID 15182902
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 22425219
ethyl 6-(cyanomethyl)-4-oxo-1H-quinoline-2-carboxylate
CID 117060106
ethyl 6-bromo-5-iodo-1H-indole-2-carboxylate
CID 135394278
ethyl 6-bromo-4-fluoro-3-formyl-1H-indole-2-carboxylate
CID 3366220
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411

Frequently Asked Questions

What is the IUPAC name of ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate?
The IUPAC name of ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate (CID 19735211) is ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate.
What is the SMILES notation for ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate?
The canonical SMILES for ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate is CCOC(=O)c1cc(=O)c2c(CC)cc(Br)cc2[nH]1.
What is the InChIKey of ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate?
The InChIKey is KIGVMGGSKQAQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-3-8-5-9(15)6-10-13(8)12(17)7-11(16-10)14(18)19-4-2/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate?
ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate has a molecular weight of 324.17 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-bromo-5-ethyl-4-oxo-1H-quinoline-2-carboxylate is sourced from PubChem (CID 19735211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).