methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride

C19H19ClN2O2 — CID 2790120

IUPACmethyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1cccc(Nc2cc(C)nc3c(C)cccc23)c1.Cl
InChIInChI=1S/C19H18N2O2.ClH/c1-12-6-4-9-16-17(10-13(2)20-18(12)16)21-15-8-5-7-14(11-15)19(22)23-3;/h4-11H,1-3H3,(H,20,21);1H
InChIKeyNJGLOTFVKPUSFO-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.80
Rot. Bonds3

About methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride

methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride (PubChem CID 2790120) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
PubChem CID2790120
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Namemethyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
SMILESCOC(=O)c1cccc(Nc2cc(C)nc3c(C)cccc23)c1.Cl
InChIInChI=1S/C19H18N2O2.ClH/c1-12-6-4-9-16-17(10-13(2)20-18(12)16)21-15-8-5-7-14(11-15)19(22)23-3;/h4-11H,1-3H3,(H,20,21);1H
InChIKeyNJGLOTFVKPUSFO-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-[(2,8-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-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid;hydrochloride
CID 2790119
3-[(2,8-dimethylquinolin-4-yl)amino]benzoic acid
CID 702836
3-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 4137398
methyl 3-[(2,6-dimethylquinolin-4-yl)amino]benzoate;hydrochloride
CID 2789796
3-[(6-methoxycarbonyl-2-methylquinolin-4-yl)amino]benzoic acid
CID 730953
N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine
CID 772388
ethyl 4-[(2,8-dimethylquinolin-4-yl)amino]benzoate
CID 715750
methyl 4-(3,4-dimethylanilino)-2-methylquinoline-6-carboxylate;hydrochloride
CID 2790970
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
methyl 4-anilino-2-methylquinoline-6-carboxylate
CID 730938
3-[(2-methylquinolin-4-yl)amino]benzoic acid
CID 43419955
methyl 4-(3-methoxyanilino)-2-methylquinoline-6-carboxylate
CID 730949

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride?
The IUPAC name of methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride (CID 2790120) is methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride.
What is the SMILES notation for methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride?
The canonical SMILES for methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride is COC(=O)c1cccc(Nc2cc(C)nc3c(C)cccc23)c1.Cl.
What is the InChIKey of methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride?
The InChIKey is NJGLOTFVKPUSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2.ClH/c1-12-6-4-9-16-17(10-13(2)20-18(12)16)21-15-8-5-7-14(11-15)19(22)23-3;/h4-11H,1-3H3,(H,20,21);1H.
What are the key properties of methyl 3-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride?
methyl 3-[(2,8-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-[(2,8-dimethylquinolin-4-yl)amino]benzoate;hydrochloride is sourced from PubChem (CID 2790120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).