[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

C20H18N2O4 — CID 2484557

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCOc1cccc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)c1
InChIInChI=1S/C20H18N2O4/c1-13-10-17(16-8-3-4-9-18(16)21-13)20(24)26-12-19(23)22-14-6-5-7-15(11-14)25-2/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyJOEPDZQAEANIKN-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.35
Rot. Bonds5

About [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2484557) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
PubChem CID2484557
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCOc1cccc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)c1
InChIInChI=1S/C20H18N2O4/c1-13-10-17(16-8-3-4-9-18(16)21-13)20(24)26-12-19(23)22-14-6-5-7-15(11-14)25-2/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyJOEPDZQAEANIKN-UHFFFAOYSA-N
XLogP3.35
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484664
[2-(3-methoxyanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2434582
3-[[2-(2-methylquinoline-4-carbonyl)oxyacetyl]amino]benzoic acid
CID 23913779
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484633
N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
CID 99835658
[2-(3-methoxyanilino)-2-oxoethyl] 2-(2,4-dichlorophenyl)quinoline-4-carboxylate
CID 17260937
[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17261984
[2-(3-methylanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 35573461
[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 40763723
[2-(3-methoxyanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2427280
[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 845169
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7648710

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 2484557) is [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate is COc1cccc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is JOEPDZQAEANIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-10-17(16-8-3-4-9-18(16)21-13)20(24)26-12-19(23)22-14-6-5-7-15(11-14)25-2/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2484557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).