4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol

C17H13BrN2O2 — CID 171981027

IUPAC4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol
SMILESCOc1cc(Br)cc(/C=N/c2cccc3ncccc23)c1O
InChIInChI=1S/C17H13BrN2O2/c1-22-16-9-12(18)8-11(17(16)21)10-20-15-6-2-5-14-13(15)4-3-7-19-14/h2-10,21H,1H3/b20-10+
InChIKeyRNKFMQVGQPXPDP-KEBDBYFISA-N
MW357.21 g/mol
LogP4.46
Rot. Bonds3

About 4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol

4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol (PubChem CID 171981027) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol.

Molecular Properties

Compound Name4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol
PubChem CID171981027
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol
SMILESCOc1cc(Br)cc(/C=N/c2cccc3ncccc23)c1O
InChIInChI=1S/C17H13BrN2O2/c1-22-16-9-12(18)8-11(17(16)21)10-20-15-6-2-5-14-13(15)4-3-7-19-14/h2-10,21H,1H3/b20-10+
InChIKeyRNKFMQVGQPXPDP-KEBDBYFISA-N
XLogP4.46
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[[3-[(7-Isobutyl-4-quinolyl)amino]propylamino]methyl]-6-methoxy-phenol
CID 56595016
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine
CID 56840758
2-[(E)-2-(5-bromo-2-hydroxy-3-methoxyphenyl)vinyl]quinolin-8-ol
CID 135500758
2,4-Dibromo-6-[(5-quinolinylimino)methyl]phenol
CID 1239983
2-[(E)-2-(5-bromo-2,3-dimethoxyphenyl)ethenyl]quinolin-8-ol
CID 5731715
N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]quinolin-4-amine;hydrochloride
CID 56840764
4-(4-Bromo-2-fluoroanilino)7-hydroxy-6-methoxyquinoline
CID 136411682
2-Bromo-6-methoxy-4-(2-quinolin-2-ylethenyl)phenol
CID 4212117
2-[(E)-2-(5-bromo-3-ethoxy-2-hydroxyphenyl)ethenyl]quinolin-8-ol
CID 135500751
4-Bromo-2-{[(2,3-dimethyl-6-quinoxalinyl)imino]methyl}-6-methoxybenzenol
CID 4209971
(e)2Methoxy6((quinolin 8ylimino)methyl)phenol
CID 135758483
2-[[(7-Fluoroquinolin-4-yl)amino]methyl]-6-methoxyphenol
CID 133448159

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol?
The IUPAC name of 4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol (CID 171981027) is 4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol.
What is the SMILES notation for 4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol?
The canonical SMILES for 4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol is COc1cc(Br)cc(/C=N/c2cccc3ncccc23)c1O.
What is the InChIKey of 4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol?
The InChIKey is RNKFMQVGQPXPDP-KEBDBYFISA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-22-16-9-12(18)8-11(17(16)21)10-20-15-6-2-5-14-13(15)4-3-7-19-14/h2-10,21H,1H3/b20-10+.
What are the key properties of 4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol?
4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol has a molecular weight of 357.21 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-6-(quinolin-5-yliminomethyl)phenol is sourced from PubChem (CID 171981027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).