2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate

C23H19NO4 — CID 7825231

IUPAC2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(OCCOC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C23H19NO4/c1-16-8-10-17(11-9-16)26-13-14-28-23(25)19-15-21(22-7-4-12-27-22)24-20-6-3-2-5-18(19)20/h2-12,15H,13-14H2,1H3
InChIKeyGPBMTKCIZJSCPU-UHFFFAOYSA-N
MW373.41 g/mol
LogP5.04
Rot. Bonds6

About 2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate

2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 7825231) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID7825231
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(OCCOC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1
InChIInChI=1S/C23H19NO4/c1-16-8-10-17(11-9-16)26-13-14-28-23(25)19-15-21(22-7-4-12-27-22)24-20-6-3-2-5-18(19)20/h2-12,15H,13-14H2,1H3
InChIKeyGPBMTKCIZJSCPU-UHFFFAOYSA-N
XLogP5.04
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 55442123
(1,3-dioxoisoindol-2-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825277
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330812
2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate
CID 7351431
[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
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 39967131
2-(3-bromophenoxy)ethyl 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4008929
2-phenoxyethyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 4562617
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825238
[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528691
[2-(2-fluoro-4-methylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761833

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of 2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate (CID 7825231) is 2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for 2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for 2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate is Cc1ccc(OCCOC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1.
What is the InChIKey of 2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is GPBMTKCIZJSCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO4/c1-16-8-10-17(11-9-16)26-13-14-28-23(25)19-15-21(22-7-4-12-27-22)24-20-6-3-2-5-18(19)20/h2-12,15H,13-14H2,1H3.
What are the key properties of 2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate?
2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 373.41 g/mol, XLogP of 5.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)ethyl 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 7825231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).