ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate

C16H12BrNO3 — CID 1379341

IUPACethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccco2)nc2ccc(Br)cc12
InChIInChI=1S/C16H12BrNO3/c1-2-20-16(19)12-9-14(15-4-3-7-21-15)18-13-6-5-10(17)8-11(12)13/h3-9H,2H2,1H3
InChIKeyKWZMBKMPTXXZFB-UHFFFAOYSA-N
MW346.18 g/mol
LogP4.43
Rot. Bonds3

About ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate

ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 1379341) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID1379341
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC Nameethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccco2)nc2ccc(Br)cc12
InChIInChI=1S/C16H12BrNO3/c1-2-20-16(19)12-9-14(15-4-3-7-21-15)18-13-6-5-10(17)8-11(12)13/h3-9H,2H2,1H3
InChIKeyKWZMBKMPTXXZFB-UHFFFAOYSA-N
XLogP4.43
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1222332
2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825231
[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2468808
[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825266
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 6-bromo-2-phenylquinoline-4-carboxylate
CID 31453146
[(1R)-2-ethoxy-2-oxo-1-phenylethyl] 6-bromo-2-(4-bromophenyl)quinoline-4-carboxylate
CID 98105191
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693378
ethane;ethyl 3-(furan-2-yl)-1-methylpyrazole-5-carboxylate
CID 143899550
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330721
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2479738
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
CID 67204819

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate (CID 1379341) is ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate is CCOC(=O)c1cc(-c2ccco2)nc2ccc(Br)cc12.
What is the InChIKey of ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is KWZMBKMPTXXZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO3/c1-2-20-16(19)12-9-14(15-4-3-7-21-15)18-13-6-5-10(17)8-11(12)13/h3-9H,2H2,1H3.
What are the key properties of ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate?
ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 346.18 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 1379341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).