1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone

C20H22N2O4 — CID 9355348

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone
SMILESCOc1ccc(OC)c(/C=N\OCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C20H22N2O4/c1-24-17-9-10-19(25-2)16(12-17)13-21-26-14-20(23)22-11-5-7-15-6-3-4-8-18(15)22/h3-4,6,8-10,12-13H,5,7,11,14H2,1-2H3/b21-13-
InChIKeyJGKZTNJOQQUPKW-BKUYFWCQSA-N
MW354.41 g/mol
LogP3.03
Rot. Bonds6

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone (PubChem CID 9355348) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone
PubChem CID9355348
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone
SMILESCOc1ccc(OC)c(/C=N\OCC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C20H22N2O4/c1-24-17-9-10-19(25-2)16(12-17)13-21-26-14-20(23)22-11-5-7-15-6-3-4-8-18(15)22/h3-4,6,8-10,12-13H,5,7,11,14H2,1-2H3/b21-13-
InChIKeyJGKZTNJOQQUPKW-BKUYFWCQSA-N
XLogP3.03
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone with MolForge

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Related Compounds

2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9355386
2-[(2-chlorophenyl)methylideneamino]oxy-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 2446276
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(7-methoxynaphthalen-2-yl)oxyethanone
CID 7652736
2-[(E)-(2,5-dimethoxyphenyl)methylideneamino]oxy-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 43013378
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-methoxybenzaldehyde
CID 7611783
2-[(Z)-(2-bromophenyl)methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 7670644
2-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 6905784
2-[[4-(difluoromethoxy)phenyl]methylideneamino]oxy-1-(2,3-dihydroindol-1-yl)ethanone
CID 2446018
1-(7-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-phenoxyethanone
CID 110749866
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]sulfanylethanone
CID 8699580

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone (CID 9355348) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone is COc1ccc(OC)c(/C=N\OCC(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone?
The InChIKey is JGKZTNJOQQUPKW-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-24-17-9-10-19(25-2)16(12-17)13-21-26-14-20(23)22-11-5-7-15-6-3-4-8-18(15)22/h3-4,6,8-10,12-13H,5,7,11,14H2,1-2H3/b21-13-.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone has a molecular weight of 354.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyethanone is sourced from PubChem (CID 9355348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).