4-benzylperoxy-6-methoxyquinoline

C17H15NO3 — CID 141085895

IUPAC4-benzylperoxy-6-methoxyquinoline
SMILESCOc1ccc2nccc(OOCc3ccccc3)c2c1
InChIInChI=1S/C17H15NO3/c1-19-14-7-8-16-15(11-14)17(9-10-18-16)21-20-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyZOHARQZPSQFGBT-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.75
Rot. Bonds5

About 4-benzylperoxy-6-methoxyquinoline

4-benzylperoxy-6-methoxyquinoline (PubChem CID 141085895) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 4-benzylperoxy-6-methoxyquinoline.

Molecular Properties

Compound Name4-benzylperoxy-6-methoxyquinoline
PubChem CID141085895
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name4-benzylperoxy-6-methoxyquinoline
SMILESCOc1ccc2nccc(OOCc3ccccc3)c2c1
InChIInChI=1S/C17H15NO3/c1-19-14-7-8-16-15(11-14)17(9-10-18-16)21-20-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
InChIKeyZOHARQZPSQFGBT-UHFFFAOYSA-N
XLogP3.75
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethane;O-(6-methoxyquinolin-4-yl)hydroxylamine
CID 157043543
6-methoxy-4-prop-2-enoxyquinoline
CID 86730706
6-methoxy-4-[(Z)-2-phenylethenyl]quinoline
CID 54610787
6-fluoro-4-phenylmethoxyquinoline
CID 164587586
4-chloro-6-phenylmethoxyquinoline
CID 23078431
6-methoxy-2,4-bis(phenylmethoxy)quinazoline
CID 18796746
7-methoxy-4-[(E)-3-phenylprop-1-enyl]quinoline
CID 70913061
6-(6-methoxyquinolin-4-yl)oxyhexanoic acid
CID 10827290
4-phenylmethoxyquinoline
CID 11299312
4,7-dimethoxyquinoline
CID 20743716
(E,2R)-6-(6-methoxyquinolin-4-yl)oxyhex-4-ene-1,2-diol
CID 66737451
7-methoxy-1-phenylisoquinoline
CID 86087026

Frequently Asked Questions

What is the IUPAC name of 4-benzylperoxy-6-methoxyquinoline?
The IUPAC name of 4-benzylperoxy-6-methoxyquinoline (CID 141085895) is 4-benzylperoxy-6-methoxyquinoline.
What is the SMILES notation for 4-benzylperoxy-6-methoxyquinoline?
The canonical SMILES for 4-benzylperoxy-6-methoxyquinoline is COc1ccc2nccc(OOCc3ccccc3)c2c1.
What is the InChIKey of 4-benzylperoxy-6-methoxyquinoline?
The InChIKey is ZOHARQZPSQFGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-19-14-7-8-16-15(11-14)17(9-10-18-16)21-20-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3.
What are the key properties of 4-benzylperoxy-6-methoxyquinoline?
4-benzylperoxy-6-methoxyquinoline has a molecular weight of 281.31 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylperoxy-6-methoxyquinoline is sourced from PubChem (CID 141085895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).