(E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine

C18H15ClN2O — CID 155538907

IUPAC(E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine
SMILESCc1ccc2nc(Cl)c(/C=N/OCc3ccccc3)cc2c1
InChIInChI=1S/C18H15ClN2O/c1-13-7-8-17-15(9-13)10-16(18(19)21-17)11-20-22-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3/b20-11+
InChIKeyZTQVFNRKESODOU-RGVLZGJSSA-N
MW310.78 g/mol
LogP4.75
Rot. Bonds4

About (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine

(E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine (PubChem CID 155538907) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine.

Molecular Properties

Compound Name(E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine
PubChem CID155538907
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name(E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine
SMILESCc1ccc2nc(Cl)c(/C=N/OCc3ccccc3)cc2c1
InChIInChI=1S/C18H15ClN2O/c1-13-7-8-17-15(9-13)10-16(18(19)21-17)11-20-22-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3/b20-11+
InChIKeyZTQVFNRKESODOU-RGVLZGJSSA-N
XLogP4.75
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine?
The IUPAC name of (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine (CID 155538907) is (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine.
What is the SMILES notation for (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine?
The canonical SMILES for (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine is Cc1ccc2nc(Cl)c(/C=N/OCc3ccccc3)cc2c1.
What is the InChIKey of (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine?
The InChIKey is ZTQVFNRKESODOU-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H15ClN2O/c1-13-7-8-17-15(9-13)10-16(18(19)21-17)11-20-22-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3/b20-11+.
What are the key properties of (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine?
(E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine has a molecular weight of 310.78 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-chloro-6-methylquinolin-3-yl)-N-phenylmethoxymethanimine is sourced from PubChem (CID 155538907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).