4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol

C16H14BrN2O+ — CID 1401355

IUPAC4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol
SMILESCc1cc(Nc2ccc(O)cc2)c2cccc(Br)c2[nH+]1
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)/p+1
InChIKeyRVFTZAMMYYMKRC-UHFFFAOYSA-O
MW330.21 g/mol
LogP4.17
Rot. Bonds2

About 4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol

4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol (PubChem CID 1401355) has the molecular formula C16H14BrN2O+ and a molecular weight of 330.21 g/mol. Its IUPAC name is 4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol.

Molecular Properties

Compound Name4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol
PubChem CID1401355
Molecular FormulaC16H14BrN2O+
Molecular Weight330.21 g/mol
Exact Mass329.03
IUPAC Name4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol
SMILESCc1cc(Nc2ccc(O)cc2)c2cccc(Br)c2[nH+]1
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)/p+1
InChIKeyRVFTZAMMYYMKRC-UHFFFAOYSA-O
XLogP4.17
TPSA46.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[(2,8-dimethylquinolin-1-ium-4-yl)amino]phenol
CID 1391620
4-[(8-bromo-2-methylquinolin-4-yl)amino]phenol
CID 978277
4-[(8-methoxy-2-methylquinolin-1-ium-4-yl)amino]benzoic acid
CID 1398391
2-[(8-chloro-2-methylquinolin-1-ium-4-yl)amino]phenol
CID 4872024
2-methyl-N-(4-methylphenyl)benzo[h]quinolin-1-ium-4-amine chloride
CID 75366848
3-[(6-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol
CID 1402686
4-[(2-methylquinolin-4-yl)amino]phenol
CID 939157
ethyl 4-(4-hydroxyanilino)-2-methylquinolin-1-ium-6-carboxylate chloride
CID 44660205
N-(3-chlorophenyl)-2-methylbenzo[h]quinolin-1-ium-4-amine chloride
CID 44657074
N-(2,4-dimethoxyphenyl)-2,8-dimethylquinolin-1-ium-4-amine
CID 5034037
4-(4-hydroxyanilino)-2-methylquinoline-8-carboxylic acid
CID 7138171
2-(4-hydroxyanilino)benzene-1,4-diol
CID 171920009

Frequently Asked Questions

What is the IUPAC name of 4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol?
The IUPAC name of 4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol (CID 1401355) is 4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol.
What is the SMILES notation for 4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol?
The canonical SMILES for 4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol is Cc1cc(Nc2ccc(O)cc2)c2cccc(Br)c2[nH+]1.
What is the InChIKey of 4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol?
The InChIKey is RVFTZAMMYYMKRC-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol?
4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol has a molecular weight of 330.21 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-bromo-2-methylquinolin-1-ium-4-yl)amino]phenol is sourced from PubChem (CID 1401355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).