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

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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).