methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate

C20H18N2O5 — CID 53112938

IUPACmethyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)Nc2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C20H18N2O5/c1-25-14-9-7-13(8-10-14)21-19(23)12-27-18-11-17(20(24)26-2)22-16-6-4-3-5-15(16)18/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyUIDQMGVPOOAYEV-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.05
Rot. Bonds6

About methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate

methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate (PubChem CID 53112938) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
PubChem CID53112938
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Namemethyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)Nc2ccc(OC)cc2)c2ccccc2n1
InChIInChI=1S/C20H18N2O5/c1-25-14-9-7-13(8-10-14)21-19(23)12-27-18-11-17(20(24)26-2)22-16-6-4-3-5-15(16)18/h3-11H,12H2,1-2H3,(H,21,23)
InChIKeyUIDQMGVPOOAYEV-UHFFFAOYSA-N
XLogP3.05
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate
CID 53113052
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112999
N-(4-bromophenyl)-2-[2-(4-methoxyphenyl)quinolin-4-yl]oxyacetamide
CID 46298628
methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53002897
methyl 6-chloro-4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113162
methyl 6-chloro-4-[2-(3-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113143
methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53043317
N-(4-methoxyphenyl)-2-naphthalen-1-yloxyacetamide
CID 835733
N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
CID 99835658
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112980
N-phenyl-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298665
methyl 6-methoxy-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53113031

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate?
The IUPAC name of methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate (CID 53112938) is methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate?
The canonical SMILES for methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate is COC(=O)c1cc(OCC(=O)Nc2ccc(OC)cc2)c2ccccc2n1.
What is the InChIKey of methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate?
The InChIKey is UIDQMGVPOOAYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-25-14-9-7-13(8-10-14)21-19(23)12-27-18-11-17(20(24)26-2)22-16-6-4-3-5-15(16)18/h3-11H,12H2,1-2H3,(H,21,23).
What are the key properties of methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate?
methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate has a molecular weight of 366.37 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate is sourced from PubChem (CID 53112938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).