[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

C28H22N2O5 — CID 2353574

IUPAC[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
SMILESCOc1ccc2cc(-c3cc(C(=O)OCC(=O)NCc4ccco4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C28H22N2O5/c1-33-21-11-10-18-13-20(9-8-19(18)14-21)26-15-24(23-6-2-3-7-25(23)30-26)28(32)35-17-27(31)29-16-22-5-4-12-34-22/h2-15H,16-17H2,1H3,(H,29,31)
InChIKeyXTGGZILUXPYNMN-UHFFFAOYSA-N
MW466.49 g/mol
LogP5.13
Rot. Bonds7

About [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate (PubChem CID 2353574) has the molecular formula C28H22N2O5 and a molecular weight of 466.49 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
PubChem CID2353574
Molecular FormulaC28H22N2O5
Molecular Weight466.49 g/mol
Exact Mass466.15
IUPAC Name[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
SMILESCOc1ccc2cc(-c3cc(C(=O)OCC(=O)NCc4ccco4)c4ccccc4n3)ccc2c1
InChIInChI=1S/C28H22N2O5/c1-33-21-11-10-18-13-20(9-8-19(18)14-21)26-15-24(23-6-2-3-7-25(23)30-26)28(32)35-17-27(31)29-16-22-5-4-12-34-22/h2-15H,16-17H2,1H3,(H,29,31)
InChIKeyXTGGZILUXPYNMN-UHFFFAOYSA-N
XLogP5.13
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.49
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate with MolForge

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 4658233
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
(2-methoxy-2-oxoethyl) 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 16568659
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate
CID 2570075
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2128183
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 23829059
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate
CID 2403708
N-(furan-2-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 856014
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2369156
[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
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate (CID 2353574) is [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate is COc1ccc2cc(-c3cc(C(=O)OCC(=O)NCc4ccco4)c4ccccc4n3)ccc2c1.
What is the InChIKey of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
The InChIKey is XTGGZILUXPYNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O5/c1-33-21-11-10-18-13-20(9-8-19(18)14-21)26-15-24(23-6-2-3-7-25(23)30-26)28(32)35-17-27(31)29-16-22-5-4-12-34-22/h2-15H,16-17H2,1H3,(H,29,31).
What are the key properties of [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate?
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate has a molecular weight of 466.49 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2353574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).