methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate

C20H20N2O4 — CID 53113332

IUPACmethyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2cc(OC)ccc2OC)c2cccc(C)c2n1
InChIInChI=1S/C20H20N2O4/c1-12-6-5-7-14-15(11-17(20(23)26-4)22-19(12)14)21-16-10-13(24-2)8-9-18(16)25-3/h5-11H,1-4H3,(H,21,22)
InChIKeyMARGNWVMOGRTNU-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.09
Rot. Bonds5

About methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate

methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate (PubChem CID 53113332) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate
PubChem CID53113332
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2cc(OC)ccc2OC)c2cccc(C)c2n1
InChIInChI=1S/C20H20N2O4/c1-12-6-5-7-14-15(11-17(20(23)26-4)22-19(12)14)21-16-10-13(24-2)8-9-18(16)25-3/h5-11H,1-4H3,(H,21,22)
InChIKeyMARGNWVMOGRTNU-UHFFFAOYSA-N
XLogP4.09
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 8-chloro-4-(2,5-dimethoxyanilino)quinoline-2-carboxylate
CID 53113369
methyl 4-(2,5-difluoroanilino)-8-methylquinoline-2-carboxylate
CID 53113330
methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113238
methyl 6-[(2,5-dimethoxyphenyl)carbamoyl]pyridine-2-carboxylate
CID 46394490
methyl 4-(3-chloroanilino)-8-methoxyquinoline-2-carboxylate
CID 53113309
methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate
CID 53113340
methyl 8-fluoro-4-(3-fluoro-4-methylanilino)quinoline-2-carboxylate
CID 45499564
6-(2,5-dimethoxyanilino)pyridine-2-carboxylic acid
CID 62254625
6-N-(2,5-dimethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100075
ethyl 4-(2,5-dimethoxyanilino)-8-methoxyquinoline-3-carboxylate
CID 22333868
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
N-(2,5-dimethoxyphenyl)-6-methylpyridine-2-carboxamide
CID 31808969

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate?
The IUPAC name of methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate (CID 53113332) is methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate?
The canonical SMILES for methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate is COC(=O)c1cc(Nc2cc(OC)ccc2OC)c2cccc(C)c2n1.
What is the InChIKey of methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate?
The InChIKey is MARGNWVMOGRTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12-6-5-7-14-15(11-17(20(23)26-4)22-19(12)14)21-16-10-13(24-2)8-9-18(16)25-3/h5-11H,1-4H3,(H,21,22).
What are the key properties of methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate?
methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,5-dimethoxyanilino)-8-methylquinoline-2-carboxylate is sourced from PubChem (CID 53113332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).