4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol

C18H18N2O — CID 696659

IUPAC4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol
SMILESCc1cc(C)c2nc(C)cc(Nc3ccc(O)cc3)c2c1
InChIInChI=1S/C18H18N2O/c1-11-8-12(2)18-16(9-11)17(10-13(3)19-18)20-14-4-6-15(21)7-5-14/h4-10,21H,1-3H3,(H,19,20)
InChIKeyDQKNENUMBQTIOE-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.61
Rot. Bonds2

About 4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol

4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol (PubChem CID 696659) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol
PubChem CID696659
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol
SMILESCc1cc(C)c2nc(C)cc(Nc3ccc(O)cc3)c2c1
InChIInChI=1S/C18H18N2O/c1-11-8-12(2)18-16(9-11)17(10-13(3)19-18)20-14-4-6-15(21)7-5-14/h4-10,21H,1-3H3,(H,19,20)
InChIKeyDQKNENUMBQTIOE-UHFFFAOYSA-N
XLogP4.61
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol?
The IUPAC name of 4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol (CID 696659) is 4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol?
The canonical SMILES for 4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol is Cc1cc(C)c2nc(C)cc(Nc3ccc(O)cc3)c2c1.
What is the InChIKey of 4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol?
The InChIKey is DQKNENUMBQTIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-11-8-12(2)18-16(9-11)17(10-13(3)19-18)20-14-4-6-15(21)7-5-14/h4-10,21H,1-3H3,(H,19,20).
What are the key properties of 4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol?
4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol has a molecular weight of 278.36 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6,8-trimethylquinolin-4-yl)amino]phenol is sourced from PubChem (CID 696659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).