methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride

C19H19ClN2O2 — CID 2789796

IUPACmethyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1cccc(Nc2cc(C)nc3ccc(C)cc23)c1.Cl
InChIInChI=1S/C19H18N2O2.ClH/c1-12-7-8-17-16(9-12)18(10-13(2)20-17)21-15-6-4-5-14(11-15)19(22)23-3;/h4-11H,1-3H3,(H,20,21);1H
InChIKeyJSQRRBXXWZQXNB-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.80
Rot. Bonds3

About methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride

methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride (PubChem CID 2789796) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
PubChem CID2789796
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Namemethyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1cccc(Nc2cc(C)nc3ccc(C)cc23)c1.Cl
InChIInChI=1S/C19H18N2O2.ClH/c1-12-7-8-17-16(9-12)18(10-13(2)20-17)21-15-6-4-5-14(11-15)19(22)23-3;/h4-11H,1-3H3,(H,20,21);1H
InChIKeyJSQRRBXXWZQXNB-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

Analyze methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970
methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2790120
ethyl 4-(3-acetylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2917853
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
methyl 4-(3-methoxyanilino)-6-methylquinoline-2-carboxylate
CID 53113257
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
3-[(2-methylquinolin-4-yl)amino]benzamide
CID 90862215
methyl 4-[(6-chloro-2-methylquinolin-4-yl)amino]benzoate
CID 696493
methyl 4-(3,4-dimethylanilino)-6-methylquinoline-2-carboxylate
CID 53113261

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride?
The IUPAC name of methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride (CID 2789796) is methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride.
What is the SMILES notation for methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride?
The canonical SMILES for methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride is COC(=O)c1cccc(Nc2cc(C)nc3ccc(C)cc23)c1.Cl.
What is the InChIKey of methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride?
The InChIKey is JSQRRBXXWZQXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2.ClH/c1-12-7-8-17-16(9-12)18(10-13(2)20-17)21-15-6-4-5-14(11-15)19(22)23-3;/h4-11H,1-3H3,(H,20,21);1H.
What are the key properties of methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride?
methyl 3-[(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 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride is sourced from PubChem (CID 2789796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).