methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate

C22H22N2O7 — CID 53113052

IUPACmethyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)Nc2cc(OC)cc(OC)c2)c2cc(OC)ccc2n1
InChIInChI=1S/C22H22N2O7/c1-27-14-5-6-18-17(10-14)20(11-19(24-18)22(26)30-4)31-12-21(25)23-13-7-15(28-2)9-16(8-13)29-3/h5-11H,12H2,1-4H3,(H,23,25)
InChIKeyJTWQLZCVGUHYJC-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.06
Rot. Bonds8

About methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate

methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate (PubChem CID 53113052) has the molecular formula C22H22N2O7 and a molecular weight of 426.43 g/mol. Its IUPAC name is methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate
PubChem CID53113052
Molecular FormulaC22H22N2O7
Molecular Weight426.43 g/mol
Exact Mass426.14
IUPAC Namemethyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)Nc2cc(OC)cc(OC)c2)c2cc(OC)ccc2n1
InChIInChI=1S/C22H22N2O7/c1-27-14-5-6-18-17(10-14)20(11-19(24-18)22(26)30-4)31-12-21(25)23-13-7-15(28-2)9-16(8-13)29-3/h5-11H,12H2,1-4H3,(H,23,25)
InChIKeyJTWQLZCVGUHYJC-UHFFFAOYSA-N
XLogP3.06
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112999
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-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53112938
methyl 6-methoxy-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53113031
methyl 4-[2-(3,4-dimethylanilino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113086
methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53002897
methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53043317
N-(3,5-dimethoxyphenyl)-2-(6-fluoro-2-phenylquinolin-4-yl)oxyacetamide
CID 46298806
methyl 4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112980
methyl 4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]-6-fluoroquinoline-2-carboxylate
CID 53113121
methyl 6-methoxy-4-[(2-methylphenyl)methoxy]quinoline-2-carboxylate
CID 53113065

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate?
The IUPAC name of methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate (CID 53113052) is methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate?
The canonical SMILES for methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate is COC(=O)c1cc(OCC(=O)Nc2cc(OC)cc(OC)c2)c2cc(OC)ccc2n1.
What is the InChIKey of methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate?
The InChIKey is JTWQLZCVGUHYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O7/c1-27-14-5-6-18-17(10-14)20(11-19(24-18)22(26)30-4)31-12-21(25)23-13-7-15(28-2)9-16(8-13)29-3/h5-11H,12H2,1-4H3,(H,23,25).
What are the key properties of methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate?
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate has a molecular weight of 426.43 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methoxyquinoline-2-carboxylate is sourced from PubChem (CID 53113052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).