2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

C18H17ClN2O2 — CID 2446276

IUPAC2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CON=Cc1ccccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C18H17ClN2O2/c19-16-9-3-1-7-15(16)12-20-23-13-18(22)21-11-5-8-14-6-2-4-10-17(14)21/h1-4,6-7,9-10,12H,5,8,11,13H2
InChIKeyPQFRXYJRJSXENN-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.67
Rot. Bonds4

About 2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 2446276) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID2446276
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(CON=Cc1ccccc1Cl)N1CCCc2ccccc21
InChIInChI=1S/C18H17ClN2O2/c19-16-9-3-1-7-15(16)12-20-23-13-18(22)21-11-5-8-14-6-2-4-10-17(14)21/h1-4,6-7,9-10,12H,5,8,11,13H2
InChIKeyPQFRXYJRJSXENN-UHFFFAOYSA-N
XLogP3.67
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 7670644
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone
CID 9355348
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] benzoate
CID 2361400
2-[(2-methylpropan-2-yl)oxy]-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 112605474
1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone
CID 6902967
2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 2446018
2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 6905784
3-(2,6-dichlorophenyl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 100601838
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
(2Z)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]imino-N-(3-nitrophenyl)acetamide
CID 7666370

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 2446276) is 2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(CON=Cc1ccccc1Cl)N1CCCc2ccccc21.
What is the InChIKey of 2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is PQFRXYJRJSXENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c19-16-9-3-1-7-15(16)12-20-23-13-18(22)21-11-5-8-14-6-2-4-10-17(14)21/h1-4,6-7,9-10,12H,5,8,11,13H2.
What are the key properties of 2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 328.80 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 2446276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).