4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol

C16H13BrN2O — CID 978277

IUPAC4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol
SMILESCc1cc(Nc2ccc(O)cc2)c2cccc(Br)c2n1
InChIInChI=1S/C16H13BrN2O/c1-10-9-15(19-11-5-7-12(20)8-6-11)13-3-2-4-14(17)16(13)18-10/h2-9,20H,1H3,(H,18,19)
InChIKeyRVFTZAMMYYMKRC-UHFFFAOYSA-N
MW329.20 g/mol
LogP4.75
Rot. Bonds2

About 4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol

4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol (PubChem CID 978277) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol
PubChem CID978277
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol
SMILESCc1cc(Nc2ccc(O)cc2)c2cccc(Br)c2n1
InChIInChI=1S/C16H13BrN2O/c1-10-9-15(19-11-5-7-12(20)8-6-11)13-3-2-4-14(17)16(13)18-10/h2-9,20H,1H3,(H,18,19)
InChIKeyRVFTZAMMYYMKRC-UHFFFAOYSA-N
XLogP4.75
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 54.75
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-[(8-bromo-2-methylquinolin-4-yl)amino]phenol?
The IUPAC name of 4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol (CID 978277) is 4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol.
What is the SMILES notation for 4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol?
The canonical SMILES for 4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol is Cc1cc(Nc2ccc(O)cc2)c2cccc(Br)c2n1.
What is the InChIKey of 4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol?
The InChIKey is RVFTZAMMYYMKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c1-10-9-15(19-11-5-7-12(20)8-6-11)13-3-2-4-14(17)16(13)18-10/h2-9,20H,1H3,(H,18,19).
What are the key properties of 4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol?
4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol has a molecular weight of 329.20 g/mol, XLogP of 4.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol is sourced from PubChem (CID 978277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).