ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate

C14H10BrNO4 — CID 135017692

IUPACethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(Br)coc3c(=O)c2c1
InChIInChI=1S/C14H10BrNO4/c1-2-19-14(18)7-3-4-10-8(5-7)12(17)13-11(16-10)9(15)6-20-13/h3-6H,2H2,1H3,(H,16,17)
InChIKeyWOOLWPGOYMQEDU-UHFFFAOYSA-N
MW336.14 g/mol
LogP3.21
Rot. Bonds2

About ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate

ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate (PubChem CID 135017692) has the molecular formula C14H10BrNO4 and a molecular weight of 336.14 g/mol. Its IUPAC name is ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate.

Molecular Properties

Compound Nameethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate
PubChem CID135017692
Molecular FormulaC14H10BrNO4
Molecular Weight336.14 g/mol
Exact Mass334.98
IUPAC Nameethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate
SMILESCCOC(=O)c1ccc2[nH]c3c(Br)coc3c(=O)c2c1
InChIInChI=1S/C14H10BrNO4/c1-2-19-14(18)7-3-4-10-8(5-7)12(17)13-11(16-10)9(15)6-20-13/h3-6H,2H2,1H3,(H,16,17)
InChIKeyWOOLWPGOYMQEDU-UHFFFAOYSA-N
XLogP3.21
TPSA72.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.14
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-ethyl-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 927791
ethyl 5,8-dimethyl-9H-carbazole-3-carboxylate
CID 165353814
ethyl 4-methyl-2-oxo-1H-quinoline-6-carboxylate
CID 7453721
diethyl 6-propyl-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
CID 22025388
ethyl 2-methyl-4-oxo-3-(pyrrolidin-1-ium-1-ylmethyl)-1H-quinoline-6-carboxylate
CID 4614042
6-O-ethyl 2-O-methyl 3-benzoyl-4-oxo-1H-quinoline-2,6-dicarboxylate
CID 1208018
ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 59648581
2-(5-ethoxycarbonyl-2-methyl-1H-indol-3-yl)acetic acid
CID 21191839
ethyl 2-methyl-3-(sulfanylmethoxy)-1H-indole-5-carboxylate
CID 57004484
ethyl 4-fluorooxy-5H-pyrimido[5,4-b]indole-8-carboxylate
CID 142467597
ethyl 2-(4-hydroxyphenyl)-4-oxo-1H-quinoline-6-carboxylate
CID 155209399
ethyl 3-[[benzyl(methyl)amino]methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate
CID 1190137

Frequently Asked Questions

What is the IUPAC name of ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate?
The IUPAC name of ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate (CID 135017692) is ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate.
What is the SMILES notation for ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate?
The canonical SMILES for ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate is CCOC(=O)c1ccc2[nH]c3c(Br)coc3c(=O)c2c1.
What is the InChIKey of ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate?
The InChIKey is WOOLWPGOYMQEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO4/c1-2-19-14(18)7-3-4-10-8(5-7)12(17)13-11(16-10)9(15)6-20-13/h3-6H,2H2,1H3,(H,16,17).
What are the key properties of ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate?
ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate has a molecular weight of 336.14 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-bromo-9-oxo-4H-furo[3,2-b]quinoline-7-carboxylate is sourced from PubChem (CID 135017692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).