2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol

C17H16N2O2 — CID 939061

IUPAC2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
SMILESCOc1cccc2c(Nc3ccccc3O)cc(C)nc12
InChIInChI=1S/C17H16N2O2/c1-11-10-14(19-13-7-3-4-8-15(13)20)12-6-5-9-16(21-2)17(12)18-11/h3-10,20H,1-2H3,(H,18,19)
InChIKeyCAZRWEPAZQAOTQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP4.00
Rot. Bonds3

About 2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol

2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol (PubChem CID 939061) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
PubChem CID939061
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
SMILESCOc1cccc2c(Nc3ccccc3O)cc(C)nc12
InChIInChI=1S/C17H16N2O2/c1-11-10-14(19-13-7-3-4-8-15(13)20)12-6-5-9-16(21-2)17(12)18-11/h3-10,20H,1-2H3,(H,18,19)
InChIKeyCAZRWEPAZQAOTQ-UHFFFAOYSA-N
XLogP4.00
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(8-methoxy-2-methylquinolin-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

N-(2-ethoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798265
N-(2-ethylphenyl)-8-methoxy-2-methylquinolin-4-amine;dihydrochloride
CID 45125627
ethyl 2-[(8-methoxy-2-methylquinolin-4-yl)amino]benzoate
CID 35208600
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
4-[(8-methoxy-2-methylquinolin-4-yl)amino]benzenesulfonamide
CID 14052838
N-(3-chlorophenyl)-8-methoxy-2-methylquinolin-4-amine
CID 23880571
N-(3-chloro-4-methoxyphenyl)-8-methoxy-2-methylquinolin-4-amine
CID 798258
8-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-2-methylquinolin-4-amine
CID 133459634
N-cyclopent-3-en-1-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369212
4-[(Z)-[(8-methoxy-2-methylquinolin-4-yl)hydrazinylidene]methyl]benzene-1,3-diol
CID 136847176
4-methoxy-2-methylquinolin-8-ol
CID 18321891

Frequently Asked Questions

What is the IUPAC name of 2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol?
The IUPAC name of 2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol (CID 939061) is 2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol.
What is the SMILES notation for 2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol?
The canonical SMILES for 2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol is COc1cccc2c(Nc3ccccc3O)cc(C)nc12.
What is the InChIKey of 2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol?
The InChIKey is CAZRWEPAZQAOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-10-14(19-13-7-3-4-8-15(13)20)12-6-5-9-16(21-2)17(12)18-11/h3-10,20H,1-2H3,(H,18,19).
What are the key properties of 2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol?
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol has a molecular weight of 280.33 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol is sourced from PubChem (CID 939061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).