2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol

C16H14ClN2O+ — CID 4872024

IUPAC2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol
SMILESCc1cc(Nc2ccccc2O)c2cccc(Cl)c2[nH+]1
InChIInChI=1S/C16H13ClN2O/c1-10-9-14(19-13-7-2-3-8-15(13)20)11-5-4-6-12(17)16(11)18-10/h2-9,20H,1H3,(H,18,19)/p+1
InChIKeyIRCBRLTXRASFER-UHFFFAOYSA-O
MW285.75 g/mol
LogP4.06
Rot. Bonds2

About 2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol

2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol (PubChem CID 4872024) has the molecular formula C16H14ClN2O+ and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol.

Molecular Properties

Compound Name2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol
PubChem CID4872024
Molecular FormulaC16H14ClN2O+
Molecular Weight285.75 g/mol
Exact Mass285.08
IUPAC Name2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol
SMILESCc1cc(Nc2ccccc2O)c2cccc(Cl)c2[nH+]1
InChIInChI=1S/C16H13ClN2O/c1-10-9-14(19-13-7-2-3-8-15(13)20)11-5-4-6-12(17)16(11)18-10/h2-9,20H,1H3,(H,18,19)/p+1
InChIKeyIRCBRLTXRASFER-UHFFFAOYSA-O
XLogP4.06
TPSA46.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(8-chloro-2-methylquinolin-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-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol
CID 1391620
4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol
CID 1401355
2-[(6-methoxy-2-methylquinolin-1-ium-4-yl)amino]phenol chloride
CID 44661730
N-(3-chlorophenyl)-2-methylbenzo[h]quinolin-1-ium-4-amine chloride
CID 44657074
2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride
CID 75366848
2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988
4-[(8-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoic acid
CID 1398391
4-chloro-3-(2-hydroxyanilino)benzoic acid
CID 82537358
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061
2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974
2-(2-tert-butyl-5-methylanilino)phenol
CID 69284004
5-amino-3-(2-hydroxyanilino)-2-methoxyphenol
CID 91231485

Frequently Asked Questions

What is the IUPAC name of 2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol?
The IUPAC name of 2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol (CID 4872024) is 2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol.
What is the SMILES notation for 2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol?
The canonical SMILES for 2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol is Cc1cc(Nc2ccccc2O)c2cccc(Cl)c2[nH+]1.
What is the InChIKey of 2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol?
The InChIKey is IRCBRLTXRASFER-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13ClN2O/c1-10-9-14(19-13-7-2-3-8-15(13)20)11-5-4-6-12(17)16(11)18-10/h2-9,20H,1H3,(H,18,19)/p+1.
What are the key properties of 2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol?
2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol has a molecular weight of 285.75 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol is sourced from PubChem (CID 4872024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).