N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride

C19H21ClN2O — CID 44657231

IUPACN-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride
SMILESCOc1ccc2[nH+]c(C)cc(Nc3cccc(C)c3C)c2c1.[Cl-]
InChIInChI=1S/C19H20N2O.ClH/c1-12-6-5-7-17(14(12)3)21-19-10-13(2)20-18-9-8-15(22-4)11-16(18)19;/h5-11H,1-4H3,(H,20,21);1H
InChIKeyZWESZWIBKDJQGS-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.34
Rot. Bonds3

About N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride

N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride (PubChem CID 44657231) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride
PubChem CID44657231
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC NameN-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride
SMILESCOc1ccc2[nH+]c(C)cc(Nc3cccc(C)c3C)c2c1.[Cl-]
InChIInChI=1S/C19H20N2O.ClH/c1-12-6-5-7-17(14(12)3)21-19-10-13(2)20-18-9-8-15(22-4)11-16(18)19;/h5-11H,1-4H3,(H,20,21);1H
InChIKeyZWESZWIBKDJQGS-UHFFFAOYSA-N
XLogP1.34
TPSA35.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride
CID 44661730
methyl 4-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoate
CID 4574013
N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine
CID 5034037
6-ethoxy-2-methyl-N-(3-nitrophenyl)quinolin-1-ium-4-amine chloride
CID 44660045
N-(2,3-dimethylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679062
N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-2-amine
CID 3582295
6-chloro-2-methyl-N-(4-propoxyphenyl)quinolin-1-ium-4-amine chloride
CID 44655939
N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine
CID 50877911
1-(2,3-dimethylphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860194
2-N-(2,3-dimethylphenyl)-4-N-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 71691168
2-N-(2,4-dimethoxyphenyl)-4-N-(2,3-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928481
N-(2,3-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206047

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride?
The IUPAC name of N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride (CID 44657231) is N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride.
What is the SMILES notation for N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride?
The canonical SMILES for N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride is COc1ccc2[nH+]c(C)cc(Nc3cccc(C)c3C)c2c1.[Cl-].
What is the InChIKey of N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride?
The InChIKey is ZWESZWIBKDJQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O.ClH/c1-12-6-5-7-17(14(12)3)21-19-10-13(2)20-18-9-8-15(22-4)11-16(18)19;/h5-11H,1-4H3,(H,20,21);1H.
What are the key properties of N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride?
N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride has a molecular weight of 328.84 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride is sourced from PubChem (CID 44657231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).