3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride

C18H19ClN2O — CID 2790794

IUPAC3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride
SMILESCc1cc(C)c2nc(C)cc(Nc3cccc(O)c3)c2c1.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-11-7-12(2)18-16(8-11)17(9-13(3)19-18)20-14-5-4-6-15(21)10-14;/h4-10,21H,1-3H3,(H,19,20);1H
InChIKeyUYGZDLYESAHMTP-UHFFFAOYSA-N
MW314.82 g/mol
LogP5.03
Rot. Bonds2

About 3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride

3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride (PubChem CID 2790794) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride
PubChem CID2790794
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride
SMILESCc1cc(C)c2nc(C)cc(Nc3cccc(O)c3)c2c1.Cl
InChIInChI=1S/C18H18N2O.ClH/c1-11-7-12(2)18-16(8-11)17(9-13(3)19-18)20-14-5-4-6-15(21)10-14;/h4-10,21H,1-3H3,(H,19,20);1H
InChIKeyUYGZDLYESAHMTP-UHFFFAOYSA-N
XLogP5.03
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.82
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride?
The IUPAC name of 3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride (CID 2790794) is 3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride.
What is the SMILES notation for 3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride?
The canonical SMILES for 3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride is Cc1cc(C)c2nc(C)cc(Nc3cccc(O)c3)c2c1.Cl.
What is the InChIKey of 3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride?
The InChIKey is UYGZDLYESAHMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O.ClH/c1-11-7-12(2)18-16(8-11)17(9-13(3)19-18)20-14-5-4-6-15(21)10-14;/h4-10,21H,1-3H3,(H,19,20);1H.
What are the key properties of 3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride?
3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride has a molecular weight of 314.82 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6,8-trimethylquinolin-4-yl)amino]phenol;hydrochloride is sourced from PubChem (CID 2790794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).