(5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate

C21H15NO6 — CID 2631168

IUPAC(5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(-c3ccco3)nc3ccccc23)o1
InChIInChI=1S/C21H15NO6/c1-25-21(24)19-9-8-13(28-19)12-27-20(23)15-11-17(18-7-4-10-26-18)22-16-6-3-2-5-14(15)16/h2-11H,12H2,1H3
InChIKeyWEKOVNCTYADQQJ-UHFFFAOYSA-N
MW377.35 g/mol
LogP4.23
Rot. Bonds5

About (5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate

(5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2631168) has the molecular formula C21H15NO6 and a molecular weight of 377.35 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2631168
Molecular FormulaC21H15NO6
Molecular Weight377.35 g/mol
Exact Mass377.09
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cc(-c3ccco3)nc3ccccc23)o1
InChIInChI=1S/C21H15NO6/c1-25-21(24)19-9-8-13(28-19)12-27-20(23)15-11-17(18-7-4-10-26-18)22-16-6-3-2-5-14(15)16/h2-11H,12H2,1H3
InChIKeyWEKOVNCTYADQQJ-UHFFFAOYSA-N
XLogP4.23
TPSA91.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methoxycarbonylfuran-2-yl)methyl 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 37260985
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2369156
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330812
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
CID 168525532
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330721
(7-hydroxy-2-oxochromen-4-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761884
(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825277
ethyl 2-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]benzoate
CID 1222332
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761958
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 39967131
[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate (CID 2631168) is (5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate is COC(=O)c1ccc(COC(=O)c2cc(-c3ccco3)nc3ccccc23)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is WEKOVNCTYADQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO6/c1-25-21(24)19-9-8-13(28-19)12-27-20(23)15-11-17(18-7-4-10-26-18)22-16-6-3-2-5-14(15)16/h2-11H,12H2,1H3.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 377.35 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2631168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).