methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate

C20H20N2O2 — CID 53113261

IUPACmethyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccc(C)c(C)c2)c2cc(C)ccc2n1
InChIInChI=1S/C20H20N2O2/c1-12-5-8-17-16(9-12)18(11-19(22-17)20(23)24-4)21-15-7-6-13(2)14(3)10-15/h5-11H,1-4H3,(H,21,22)
InChIKeyAFEDPKXRQXGAPI-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.69
Rot. Bonds3

About methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate

methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate (PubChem CID 53113261) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate
PubChem CID53113261
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Namemethyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccc(C)c(C)c2)c2cc(C)ccc2n1
InChIInChI=1S/C20H20N2O2/c1-12-5-8-17-16(9-12)18(11-19(22-17)20(23)24-4)21-15-7-6-13(2)14(3)10-15/h5-11H,1-4H3,(H,21,22)
InChIKeyAFEDPKXRQXGAPI-UHFFFAOYSA-N
XLogP4.69
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
CID 53113257
methyl 4-(4-fluoro-2-methylanilino)-6-methylquinoline-2-carboxylate
CID 53113268
methyl 6-methyl-4-(4-phenylmethoxyanilino)quinoline-2-carboxylate
CID 53001303
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970
methyl 4-(3-chloro-2-methylanilino)-6-methylquinoline-2-carboxylate
CID 53113265
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
methyl 4-(2-bromo-4-methylanilino)-6-fluoroquinoline-2-carboxylate
CID 53113296
methyl 2-(3,4-dimethylanilino)-6-methylpyrimidine-4-carboxylate
CID 71689122
methyl 4-(4-bromoanilino)quinoline-2-carboxylate
CID 45499074
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate
CID 53113237
methyl 7-methyl-4-(methylamino)quinoline-2-carboxylate
CID 84626017
methyl 4-ethoxy-6-methylquinoline-2-carboxylate
CID 102941885

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate?
The IUPAC name of methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate (CID 53113261) is methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate?
The canonical SMILES for methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate is COC(=O)c1cc(Nc2ccc(C)c(C)c2)c2cc(C)ccc2n1.
What is the InChIKey of methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate?
The InChIKey is AFEDPKXRQXGAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-12-5-8-17-16(9-12)18(11-19(22-17)20(23)24-4)21-15-7-6-13(2)14(3)10-15/h5-11H,1-4H3,(H,21,22).
What are the key properties of methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate?
methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate has a molecular weight of 320.39 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate is sourced from PubChem (CID 53113261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).