N-methyl-1-quinolin-4-ylmethanimine oxide

C11H10N2O — CID 6253940

IUPACN-methyl-1-quinolin-4-ylmethanimine oxide
SMILESC/[N+]([O-])=C/c1ccnc2ccccc12
InChIInChI=1S/C11H10N2O/c1-13(14)8-9-6-7-12-11-5-3-2-4-10(9)11/h2-8H,1H3/b13-8-
InChIKeyAEJUEIHKFQTNNL-JYRVWZFOSA-N
MW186.21 g/mol
LogP1.79
Rot. Bonds1

About N-methyl-1-quinolin-4-ylmethanimine oxide

N-methyl-1-quinolin-4-ylmethanimine oxide (PubChem CID 6253940) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is N-methyl-1-quinolin-4-ylmethanimine oxide.

Molecular Properties

Compound NameN-methyl-1-quinolin-4-ylmethanimine oxide
PubChem CID6253940
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC NameN-methyl-1-quinolin-4-ylmethanimine oxide
SMILESC/[N+]([O-])=C/c1ccnc2ccccc12
InChIInChI=1S/C11H10N2O/c1-13(14)8-9-6-7-12-11-5-3-2-4-10(9)11/h2-8H,1H3/b13-8-
InChIKeyAEJUEIHKFQTNNL-JYRVWZFOSA-N
XLogP1.79
TPSA38.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.79
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-methyl-1-quinolin-4-ylmethanimine oxide?
The IUPAC name of N-methyl-1-quinolin-4-ylmethanimine oxide (CID 6253940) is N-methyl-1-quinolin-4-ylmethanimine oxide.
What is the SMILES notation for N-methyl-1-quinolin-4-ylmethanimine oxide?
The canonical SMILES for N-methyl-1-quinolin-4-ylmethanimine oxide is C/[N+]([O-])=C/c1ccnc2ccccc12.
What is the InChIKey of N-methyl-1-quinolin-4-ylmethanimine oxide?
The InChIKey is AEJUEIHKFQTNNL-JYRVWZFOSA-N. The full InChI is InChI=1S/C11H10N2O/c1-13(14)8-9-6-7-12-11-5-3-2-4-10(9)11/h2-8H,1H3/b13-8-.
What are the key properties of N-methyl-1-quinolin-4-ylmethanimine oxide?
N-methyl-1-quinolin-4-ylmethanimine oxide has a molecular weight of 186.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-quinolin-4-ylmethanimine oxide is sourced from PubChem (CID 6253940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).