2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride

C17H17ClN2O2 — CID 44661730

IUPAC2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride
SMILESCOc1ccc2[nH+]c(C)cc(Nc3ccccc3O)c2c1.[Cl-]
InChIInChI=1S/C17H16N2O2.ClH/c1-11-9-16(19-15-5-3-4-6-17(15)20)13-10-12(21-2)7-8-14(13)18-11;/h3-10,20H,1-2H3,(H,18,19);1H
InChIKeyJUFULWWWUNFNEA-UHFFFAOYSA-N
MW316.79 g/mol
LogP0.42
Rot. Bonds3

About 2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride

2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride (PubChem CID 44661730) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride.

Molecular Properties

Compound Name2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride
PubChem CID44661730
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride
SMILESCOc1ccc2[nH+]c(C)cc(Nc3ccccc3O)c2c1.[Cl-]
InChIInChI=1S/C17H16N2O2.ClH/c1-11-9-16(19-15-5-3-4-6-17(15)20)13-10-12(21-2)7-8-14(13)18-11;/h3-10,20H,1-2H3,(H,18,19);1H
InChIKeyJUFULWWWUNFNEA-UHFFFAOYSA-N
XLogP0.42
TPSA55.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dimethylphenyl)-6-methoxy-2-methylquinolin-1-ium-4-amine chloride
CID 44657231
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
5-amino-3-(2-hydroxyanilino)-2-methoxyphenol
CID 91231485
6-ethoxy-2-methyl-N-(3-nitrophenyl)quinolin-1-ium-4-amine chloride
CID 44660045
2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
3-(3-hydroxy-2-methoxyanilino)-2-methoxyphenol
CID 57011726
2-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenol
CID 135426072
7-methoxy-N-(2-methoxyphenyl)-2-methylquinolin-4-amine
CID 110435616
2-[2-hydroxy-4-(3-methoxyphenyl)anilino]benzaldehyde;methanol
CID 156730130
2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride?
The IUPAC name of 2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride (CID 44661730) is 2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride.
What is the SMILES notation for 2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride?
The canonical SMILES for 2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride is COc1ccc2[nH+]c(C)cc(Nc3ccccc3O)c2c1.[Cl-].
What is the InChIKey of 2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride?
The InChIKey is JUFULWWWUNFNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2.ClH/c1-11-9-16(19-15-5-3-4-6-17(15)20)13-10-12(21-2)7-8-14(13)18-11;/h3-10,20H,1-2H3,(H,18,19);1H.
What are the key properties of 2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride?
2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride has a molecular weight of 316.79 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride is sourced from PubChem (CID 44661730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).