methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate

C22H22N2O5 — CID 53043317

IUPACmethyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)NCc2ccc(OC)cc2)c2cc(C)ccc2n1
InChIInChI=1S/C22H22N2O5/c1-14-4-9-18-17(10-14)20(11-19(24-18)22(26)28-3)29-13-21(25)23-12-15-5-7-16(27-2)8-6-15/h4-11H,12-13H2,1-3H3,(H,23,25)
InChIKeyAAKLXYMUEQQYPR-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.03
Rot. Bonds7

About methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate

methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate (PubChem CID 53043317) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate
PubChem CID53043317
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Namemethyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCC(=O)NCc2ccc(OC)cc2)c2cc(C)ccc2n1
InChIInChI=1S/C22H22N2O5/c1-14-4-9-18-17(10-14)20(11-19(24-18)22(26)28-3)29-13-21(25)23-12-15-5-7-16(27-2)8-6-15/h4-11H,12-13H2,1-3H3,(H,23,25)
InChIKeyAAKLXYMUEQQYPR-UHFFFAOYSA-N
XLogP3.03
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-methoxy-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53113031
methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53112999
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 112787491
ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53043313
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885
methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53112938
methyl 4-[2-(4-bromoanilino)-2-oxoethoxy]-6-methylquinoline-2-carboxylate
CID 53002897
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 48501810
methyl 6-methyl-4-[2-(3-methylsulfanylanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113000
N-[(4-methylphenyl)methyl]-2-(2-phenylquinolin-4-yl)oxyacetamide
CID 46298662
2-(2-methoxy-4-methylphenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 2627667
methyl 6-chloro-4-[2-(3,5-dimethoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate
CID 53113162

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate?
The IUPAC name of methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate (CID 53043317) is methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate?
The canonical SMILES for methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate is COC(=O)c1cc(OCC(=O)NCc2ccc(OC)cc2)c2cc(C)ccc2n1.
What is the InChIKey of methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate?
The InChIKey is AAKLXYMUEQQYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14-4-9-18-17(10-14)20(11-19(24-18)22(26)28-3)29-13-21(25)23-12-15-5-7-16(27-2)8-6-15/h4-11H,12-13H2,1-3H3,(H,23,25).
What are the key properties of methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate?
methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate has a molecular weight of 394.43 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[(4-methoxyphenyl)methylamino]-2-oxoethoxy]-6-methylquinoline-2-carboxylate is sourced from PubChem (CID 53043317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).