[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

C28H24N2O6 — CID 17258500

IUPAC[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)cc1
InChIInChI=1S/C28H24N2O6/c1-3-35-27(32)19-8-12-20(13-9-19)29-26(31)17-36-28(33)23-16-25(18-10-14-21(34-2)15-11-18)30-24-7-5-4-6-22(23)24/h4-16H,3,17H2,1-2H3,(H,29,31)
InChIKeyRBHOWTNEKFESSE-UHFFFAOYSA-N
MW484.51 g/mol
LogP4.88
Rot. Bonds8

About [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 17258500) has the molecular formula C28H24N2O6 and a molecular weight of 484.51 g/mol. Its IUPAC name is [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID17258500
Molecular FormulaC28H24N2O6
Molecular Weight484.51 g/mol
Exact Mass484.16
IUPAC Name[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)cc1
InChIInChI=1S/C28H24N2O6/c1-3-35-27(32)19-8-12-20(13-9-19)29-26(31)17-36-28(33)23-16-25(18-10-14-21(34-2)15-11-18)30-24-7-5-4-6-22(23)24/h4-16H,3,17H2,1-2H3,(H,29,31)
InChIKeyRBHOWTNEKFESSE-UHFFFAOYSA-N
XLogP4.88
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate with MolForge

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17261984
[2-(benzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2335668
ethyl 4-[[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 4580773
[2-(2-cyanoanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 16528678
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 23994526
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 29405110
[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 40763723
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 2369162
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 16528663
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2128183
[2-(3-fluoroanilino)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 7825012
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 42980888

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 17258500) is [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is CCOC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)cc1.
What is the InChIKey of [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is RBHOWTNEKFESSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O6/c1-3-35-27(32)19-8-12-20(13-9-19)29-26(31)17-36-28(33)23-16-25(18-10-14-21(34-2)15-11-18)30-24-7-5-4-6-22(23)24/h4-16H,3,17H2,1-2H3,(H,29,31).
What are the key properties of [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 484.51 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 17258500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).