[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

C26H23N3O5 — CID 2121133

IUPAC[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H23N3O5/c30-25(27-18-7-9-19(10-8-18)29-11-14-32-15-12-29)17-34-26(31)21-16-23(24-6-3-13-33-24)28-22-5-2-1-4-20(21)22/h1-10,13,16H,11-12,14-15,17H2,(H,27,30)
InChIKeyMBWPSWVHMJMQOL-UHFFFAOYSA-N
MW457.49 g/mol
LogP4.13
Rot. Bonds6

About [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2121133) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2121133
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C26H23N3O5/c30-25(27-18-7-9-19(10-8-18)29-11-14-32-15-12-29)17-34-26(31)21-16-23(24-6-3-13-33-24)28-22-5-2-1-4-20(21)22/h1-10,13,16H,11-12,14-15,17H2,(H,27,30)
InChIKeyMBWPSWVHMJMQOL-UHFFFAOYSA-N
XLogP4.13
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 2358673
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2466613
[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 23876555
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16528751
[2-(2-chloroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2337988
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-pyridin-2-ylquinoline-4-carboxylate
CID 23736786
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 41404505
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2631686
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2089799
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 9330812

Frequently Asked Questions

What is the IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 2121133) is [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is MBWPSWVHMJMQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c30-25(27-18-7-9-19(10-8-18)29-11-14-32-15-12-29)17-34-26(31)21-16-23(24-6-3-13-33-24)28-22-5-2-1-4-20(21)22/h1-10,13,16H,11-12,14-15,17H2,(H,27,30).
What are the key properties of [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate?
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 457.49 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2121133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).