N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide

C18H16N2O — CID 151631014

IUPACN-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide
SMILESCc1ccc2ncc(/C=[N+](\[O-])Cc3ccccc3)cc2c1
InChIInChI=1S/C18H16N2O/c1-14-7-8-18-17(9-14)10-16(11-19-18)13-20(21)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3/b20-13-
InChIKeyQQMUEBSOAGXAFM-MOSHPQCFSA-N
MW276.34 g/mol
LogP3.67
Rot. Bonds3

About N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide

N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide (PubChem CID 151631014) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide.

Molecular Properties

Compound NameN-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide
PubChem CID151631014
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC NameN-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide
SMILESCc1ccc2ncc(/C=[N+](\[O-])Cc3ccccc3)cc2c1
InChIInChI=1S/C18H16N2O/c1-14-7-8-18-17(9-14)10-16(11-19-18)13-20(21)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3/b20-13-
InChIKeyQQMUEBSOAGXAFM-MOSHPQCFSA-N
XLogP3.67
TPSA38.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide?
The IUPAC name of N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide (CID 151631014) is N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide.
What is the SMILES notation for N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide?
The canonical SMILES for N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide is Cc1ccc2ncc(/C=[N+](\[O-])Cc3ccccc3)cc2c1.
What is the InChIKey of N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide?
The InChIKey is QQMUEBSOAGXAFM-MOSHPQCFSA-N. The full InChI is InChI=1S/C18H16N2O/c1-14-7-8-18-17(9-14)10-16(11-19-18)13-20(21)12-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3/b20-13-.
What are the key properties of N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide?
N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide has a molecular weight of 276.34 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(6-methylquinolin-3-yl)methanimine oxide is sourced from PubChem (CID 151631014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).