methyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride

C19H19ClN2O2 — CID 2789795

IUPACmethyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(Nc2cc(C)nc3ccc(C)cc23)cc1.Cl
InChIInChI=1S/C19H18N2O2.ClH/c1-12-4-9-17-16(10-12)18(11-13(2)20-17)21-15-7-5-14(6-8-15)19(22)23-3;/h4-11H,1-3H3,(H,20,21);1H
InChIKeyRDBVEEHNZJLQDP-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.80
Rot. Bonds3

About methyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride

methyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride (PubChem CID 2789795) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is methyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
PubChem CID2789795
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Namemethyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(Nc2cc(C)nc3ccc(C)cc23)cc1.Cl
InChIInChI=1S/C19H18N2O2.ClH/c1-12-4-9-17-16(10-12)18(11-13(2)20-17)21-15-7-5-14(6-8-15)19(22)23-3;/h4-11H,1-3H3,(H,20,21);1H
InChIKeyRDBVEEHNZJLQDP-UHFFFAOYSA-N
XLogP4.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride?
The IUPAC name of methyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride (CID 2789795) is methyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride.
What is the SMILES notation for methyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride?
The canonical SMILES for methyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride is COC(=O)c1ccc(Nc2cc(C)nc3ccc(C)cc23)cc1.Cl.
What is the InChIKey of methyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride?
The InChIKey is RDBVEEHNZJLQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2.ClH/c1-12-4-9-17-16(10-12)18(11-13(2)20-17)21-15-7-5-14(6-8-15)19(22)23-3;/h4-11H,1-3H3,(H,20,21);1H.
What are the key properties of methyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride?
methyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride is sourced from PubChem (CID 2789795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).