3-[(6-tert-butylquinolin-4-yl)amino]phenol

C19H20N2O — CID 44532978

IUPAC3-[(6-tert-butylquinolin-4-yl)amino]phenol
SMILESCC(C)(C)c1ccc2nccc(Nc3cccc(O)c3)c2c1
InChIInChI=1S/C19H20N2O/c1-19(2,3)13-7-8-17-16(11-13)18(9-10-20-17)21-14-5-4-6-15(22)12-14/h4-12,22H,1-3H3,(H,20,21)
InChIKeyYLGOFBVUMIJIPS-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.98
Rot. Bonds2

About 3-[(6-tert-butylquinolin-4-yl)amino]phenol

3-[(6-tert-butylquinolin-4-yl)amino]phenol (PubChem CID 44532978) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(6-tert-butylquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(6-tert-butylquinolin-4-yl)amino]phenol
PubChem CID44532978
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name3-[(6-tert-butylquinolin-4-yl)amino]phenol
SMILESCC(C)(C)c1ccc2nccc(Nc3cccc(O)c3)c2c1
InChIInChI=1S/C19H20N2O/c1-19(2,3)13-7-8-17-16(11-13)18(9-10-20-17)21-14-5-4-6-15(22)12-14/h4-12,22H,1-3H3,(H,20,21)
InChIKeyYLGOFBVUMIJIPS-UHFFFAOYSA-N
XLogP4.98
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-tert-butylquinolin-4-yl)amino]phenol?
The IUPAC name of 3-[(6-tert-butylquinolin-4-yl)amino]phenol (CID 44532978) is 3-[(6-tert-butylquinolin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(6-tert-butylquinolin-4-yl)amino]phenol?
The canonical SMILES for 3-[(6-tert-butylquinolin-4-yl)amino]phenol is CC(C)(C)c1ccc2nccc(Nc3cccc(O)c3)c2c1.
What is the InChIKey of 3-[(6-tert-butylquinolin-4-yl)amino]phenol?
The InChIKey is YLGOFBVUMIJIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-19(2,3)13-7-8-17-16(11-13)18(9-10-20-17)21-14-5-4-6-15(22)12-14/h4-12,22H,1-3H3,(H,20,21).
What are the key properties of 3-[(6-tert-butylquinolin-4-yl)amino]phenol?
3-[(6-tert-butylquinolin-4-yl)amino]phenol has a molecular weight of 292.38 g/mol, XLogP of 4.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-tert-butylquinolin-4-yl)amino]phenol is sourced from PubChem (CID 44532978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).