1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide

C17H13ClN2O — CID 150144183

IUPAC1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide
SMILESCc1ccc2nc(Cl)c(/C=[N+](\[O-])c3ccccc3)cc2c1
InChIInChI=1S/C17H13ClN2O/c1-12-7-8-16-13(9-12)10-14(17(18)19-16)11-20(21)15-5-3-2-4-6-15/h2-11H,1H3/b20-11-
InChIKeyFDXAWFKRLDJAHI-JAIQZWGSSA-N
MW296.76 g/mol
LogP4.46
Rot. Bonds2

About 1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide

1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide (PubChem CID 150144183) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide.

Molecular Properties

Compound Name1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide
PubChem CID150144183
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide
SMILESCc1ccc2nc(Cl)c(/C=[N+](\[O-])c3ccccc3)cc2c1
InChIInChI=1S/C17H13ClN2O/c1-12-7-8-16-13(9-12)10-14(17(18)19-16)11-20(21)15-5-3-2-4-6-15/h2-11H,1H3/b20-11-
InChIKeyFDXAWFKRLDJAHI-JAIQZWGSSA-N
XLogP4.46
TPSA38.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide?
The IUPAC name of 1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide (CID 150144183) is 1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide.
What is the SMILES notation for 1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide?
The canonical SMILES for 1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide is Cc1ccc2nc(Cl)c(/C=[N+](\[O-])c3ccccc3)cc2c1.
What is the InChIKey of 1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide?
The InChIKey is FDXAWFKRLDJAHI-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H13ClN2O/c1-12-7-8-16-13(9-12)10-14(17(18)19-16)11-20(21)15-5-3-2-4-6-15/h2-11H,1H3/b20-11-.
What are the key properties of 1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide?
1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide has a molecular weight of 296.76 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethanimine oxide is sourced from PubChem (CID 150144183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).