4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol

C17H17N2O+ — CID 1391620

IUPAC4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol
SMILESCc1cc(Nc2ccc(O)cc2)c2cccc(C)c2[nH+]1
InChIInChI=1S/C17H16N2O/c1-11-4-3-5-15-16(10-12(2)18-17(11)15)19-13-6-8-14(20)9-7-13/h3-10,20H,1-2H3,(H,18,19)/p+1
InChIKeyLVKJOEZNXMUDOL-UHFFFAOYSA-O
MW265.34 g/mol
LogP3.72
Rot. Bonds2

About 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol

4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol (PubChem CID 1391620) has the molecular formula C17H17N2O+ and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol
PubChem CID1391620
Molecular FormulaC17H17N2O+
Molecular Weight265.34 g/mol
Exact Mass265.13
IUPAC Name4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol
SMILESCc1cc(Nc2ccc(O)cc2)c2cccc(C)c2[nH+]1
InChIInChI=1S/C17H16N2O/c1-11-4-3-5-15-16(10-12(2)18-17(11)15)19-13-6-8-14(20)9-7-13/h3-10,20H,1-2H3,(H,18,19)/p+1
InChIKeyLVKJOEZNXMUDOL-UHFFFAOYSA-O
XLogP3.72
TPSA46.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol 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

4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol
CID 1401355
N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine
CID 5034037
4-[(8-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoic acid
CID 1398391
2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol
CID 4872024
2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride
CID 75366848
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol
CID 978277
ethyl 4-(4-hydroxyanilino)-2-methylquinolin-1-ium-6-carboxylate chloride
CID 44660205
N-(3-chlorophenyl)-2-methylbenzo[h]quinolin-1-ium-4-amine chloride
CID 44657074
3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol
CID 1402686
4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid
CID 7138171
4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol
CID 10882081

Frequently Asked Questions

What is the IUPAC name of 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol?
The IUPAC name of 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol (CID 1391620) is 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol.
What is the SMILES notation for 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol?
The canonical SMILES for 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol is Cc1cc(Nc2ccc(O)cc2)c2cccc(C)c2[nH+]1.
What is the InChIKey of 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol?
The InChIKey is LVKJOEZNXMUDOL-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H16N2O/c1-11-4-3-5-15-16(10-12(2)18-17(11)15)19-13-6-8-14(20)9-7-13/h3-10,20H,1-2H3,(H,18,19)/p+1.
What are the key properties of 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol?
4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol has a molecular weight of 265.34 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol is sourced from PubChem (CID 1391620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).