3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride

C17H17ClN2O2 — CID 2790585

IUPAC3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride
SMILESCOc1ccc2nc(C)cc(Nc3cccc(O)c3)c2c1.Cl
InChIInChI=1S/C17H16N2O2.ClH/c1-11-8-17(19-12-4-3-5-13(20)9-12)15-10-14(21-2)6-7-16(15)18-11;/h3-10,20H,1-2H3,(H,18,19);1H
InChIKeyJUOMHXRIBMKQOG-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.42
Rot. Bonds3

About 3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride

3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride (PubChem CID 2790585) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride
PubChem CID2790585
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride
SMILESCOc1ccc2nc(C)cc(Nc3cccc(O)c3)c2c1.Cl
InChIInChI=1S/C17H16N2O2.ClH/c1-11-8-17(19-12-4-3-5-13(20)9-12)15-10-14(21-2)6-7-16(15)18-11;/h3-10,20H,1-2H3,(H,18,19);1H
InChIKeyJUOMHXRIBMKQOG-UHFFFAOYSA-N
XLogP4.42
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride?
The IUPAC name of 3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride (CID 2790585) is 3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride.
What is the SMILES notation for 3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride?
The canonical SMILES for 3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride is COc1ccc2nc(C)cc(Nc3cccc(O)c3)c2c1.Cl.
What is the InChIKey of 3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride?
The InChIKey is JUOMHXRIBMKQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2.ClH/c1-11-8-17(19-12-4-3-5-13(20)9-12)15-10-14(21-2)6-7-16(15)18-11;/h3-10,20H,1-2H3,(H,18,19);1H.
What are the key properties of 3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride?
3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-2-methylquinolin-4-yl)amino]phenol;hydrochloride is sourced from PubChem (CID 2790585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).