[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

C25H20N2O6 — CID 2369156

IUPAC[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C25H20N2O6/c1-31-24(29)17-10-8-16(9-11-17)14-26-23(28)15-33-25(30)19-13-21(22-7-4-12-32-22)27-20-6-3-2-5-18(19)20/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyBHGQOQRWPQERHI-UHFFFAOYSA-N
MW444.44 g/mol
LogP3.75
Rot. Bonds7

About [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2369156) has the molecular formula C25H20N2O6 and a molecular weight of 444.44 g/mol. Its IUPAC name is [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2369156
Molecular FormulaC25H20N2O6
Molecular Weight444.44 g/mol
Exact Mass444.13
IUPAC Name[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1ccc(CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C25H20N2O6/c1-31-24(29)17-10-8-16(9-11-17)14-26-23(28)15-33-25(30)19-13-21(22-7-4-12-32-22)27-20-6-3-2-5-18(19)20/h2-13H,14-15H2,1H3,(H,26,28)
InChIKeyBHGQOQRWPQERHI-UHFFFAOYSA-N
XLogP3.75
TPSA107.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate with MolForge

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Related Compounds

[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 2369162
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330812
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330721
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528691
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
(5-methoxycarbonylfuran-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 2631168
[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 39967131
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825238
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2693378
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528721
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 2369156) is [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is COC(=O)c1ccc(CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1.
What is the InChIKey of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is BHGQOQRWPQERHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O6/c1-31-24(29)17-10-8-16(9-11-17)14-26-23(28)15-33-25(30)19-13-21(22-7-4-12-32-22)27-20-6-3-2-5-18(19)20/h2-13H,14-15H2,1H3,(H,26,28).
What are the key properties of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 444.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2369156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).