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

C16H14BrClN2O — CID 52994929

IUPAC3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride
SMILESCc1cc(Nc2cccc(O)c2)c2cc(Br)ccc2n1.Cl
InChIInChI=1S/C16H13BrN2O.ClH/c1-10-7-16(19-12-3-2-4-13(20)9-12)14-8-11(17)5-6-15(14)18-10;/h2-9,20H,1H3,(H,18,19);1H
InChIKeyVXKLPQSXADSUPI-UHFFFAOYSA-N
MW365.66 g/mol
LogP5.18
Rot. Bonds2

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

3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride (PubChem CID 52994929) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride.

Molecular Properties

Compound Name3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride
PubChem CID52994929
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride
SMILESCc1cc(Nc2cccc(O)c2)c2cc(Br)ccc2n1.Cl
InChIInChI=1S/C16H13BrN2O.ClH/c1-10-7-16(19-12-3-2-4-13(20)9-12)14-8-11(17)5-6-15(14)18-10;/h2-9,20H,1H3,(H,18,19);1H
InChIKeyVXKLPQSXADSUPI-UHFFFAOYSA-N
XLogP5.18
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.66
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride?
The IUPAC name of 3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride (CID 52994929) is 3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride.
What is the SMILES notation for 3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride?
The canonical SMILES for 3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride is Cc1cc(Nc2cccc(O)c2)c2cc(Br)ccc2n1.Cl.
What is the InChIKey of 3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride?
The InChIKey is VXKLPQSXADSUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O.ClH/c1-10-7-16(19-12-3-2-4-13(20)9-12)14-8-11(17)5-6-15(14)18-10;/h2-9,20H,1H3,(H,18,19);1H.
What are the key properties of 3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride?
3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride has a molecular weight of 365.66 g/mol, XLogP of 5.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-bromo-2-methylquinolin-4-yl)amino]phenol;hydrochloride is sourced from PubChem (CID 52994929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).