methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate

C21H22N2O3 — CID 125468160

IUPACmethyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate
SMILESCOC(=O)c1cc(Nc2cc(C)nc3c(C)cc(C)cc23)ccc1OC
InChIInChI=1S/C21H22N2O3/c1-12-8-13(2)20-16(9-12)18(10-14(3)22-20)23-15-6-7-19(25-4)17(11-15)21(24)26-5/h6-11H,1-5H3,(H,22,23)
InChIKeyFCPJMILSKANKJU-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.70
Rot. Bonds4

About methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate

methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate (PubChem CID 125468160) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate
PubChem CID125468160
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Namemethyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate
SMILESCOC(=O)c1cc(Nc2cc(C)nc3c(C)cc(C)cc23)ccc1OC
InChIInChI=1S/C21H22N2O3/c1-12-8-13(2)20-16(9-12)18(10-14(3)22-20)23-15-6-7-19(25-4)17(11-15)21(24)26-5/h6-11H,1-5H3,(H,22,23)
InChIKeyFCPJMILSKANKJU-UHFFFAOYSA-N
XLogP4.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate with MolForge

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Related Compounds

4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol
CID 696659
5-[4-[(2,6,8-trimethylquinolin-4-yl)amino]phenyl]pyrimidine-2-carboxamide
CID 118870045
2-(3,4-dimethoxyphenyl)-N-(2,6,8-trimethylquinolin-4-yl)acetamide
CID 42589559
N-(2,4-dimethoxyphenyl)-2,6,8-trimethylquinolin-4-amine;hydrochloride
CID 2790789
3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride
CID 2790794
2-bromo-5-methoxy-N-(2,6,8-trimethylquinolin-4-yl)benzamide
CID 43853828
methyl 2-amino-5-(2-methoxy-5-methylanilino)benzoate
CID 61306349
methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2790120
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate
CID 53113261
methyl 2-amino-5-(2,4-dimethylanilino)benzoate
CID 61306539
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate?
The IUPAC name of methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate (CID 125468160) is methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate.
What is the SMILES notation for methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate?
The canonical SMILES for methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate is COC(=O)c1cc(Nc2cc(C)nc3c(C)cc(C)cc23)ccc1OC.
What is the InChIKey of methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate?
The InChIKey is FCPJMILSKANKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-12-8-13(2)20-16(9-12)18(10-14(3)22-20)23-15-6-7-19(25-4)17(11-15)21(24)26-5/h6-11H,1-5H3,(H,22,23).
What are the key properties of methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate?
methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate has a molecular weight of 350.42 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-5-[(2,6,8-trimethylquinolin-4-yl)amino]benzoate is sourced from PubChem (CID 125468160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).