[2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

C24H19N3O5 — CID 2571407

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)c3ccccc3n2)o1
InChIInChI=1S/C24H19N3O5/c1-14-6-11-21(32-14)20-12-18(17-4-2-3-5-19(17)27-20)24(30)31-13-22(28)26-16-9-7-15(8-10-16)23(25)29/h2-12H,13H2,1H3,(H2,25,29)(H,26,28)
InChIKeyZOMXQOXDYGPXMU-UHFFFAOYSA-N
MW429.43 g/mol
LogP3.70
Rot. Bonds6

About [2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate (PubChem CID 2571407) has the molecular formula C24H19N3O5 and a molecular weight of 429.43 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
PubChem CID2571407
Molecular FormulaC24H19N3O5
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
SMILESCc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)c3ccccc3n2)o1
InChIInChI=1S/C24H19N3O5/c1-14-6-11-21(32-14)20-12-18(17-4-2-3-5-19(17)27-20)24(30)31-13-22(28)26-16-9-7-15(8-10-16)23(25)29/h2-12H,13H2,1H3,(H2,25,29)(H,26,28)
InChIKeyZOMXQOXDYGPXMU-UHFFFAOYSA-N
XLogP3.70
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate with MolForge

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Related Compounds

[2-(2-methoxyanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4801663
2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 913140
(2-anilino-2-oxoethyl) 2-(furan-2-yl)quinoline-4-carboxylate
CID 2353514
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 2635528
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4853389
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 3915591
[2-(4-carbamoylanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 2119050
[2-(4-bromophenyl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 5114690
[2-(4-chlorophenyl)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 4271505
[2-oxo-2-(pentan-2-ylamino)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 3882869
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate
CID 3984434
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17258500

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate (CID 2571407) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate is Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C(N)=O)cc3)c3ccccc3n2)o1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
The InChIKey is ZOMXQOXDYGPXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O5/c1-14-6-11-21(32-14)20-12-18(17-4-2-3-5-19(17)27-20)24(30)31-13-22(28)26-16-9-7-15(8-10-16)23(25)29/h2-12H,13H2,1H3,(H2,25,29)(H,26,28).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate has a molecular weight of 429.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(5-methylfuran-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2571407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).