2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide

C13H19N3O2 — CID 112672962

IUPAC2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide
SMILESCN1CCCc2cc(CNOCC(N)=O)ccc21
InChIInChI=1S/C13H19N3O2/c1-16-6-2-3-11-7-10(4-5-12(11)16)8-15-18-9-13(14)17/h4-5,7,15H,2-3,6,8-9H2,1H3,(H2,14,17)
InChIKeyNDKWZKVCHGTEHT-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.58
Rot. Bonds5

About 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide

2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide (PubChem CID 112672962) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide.

Molecular Properties

Compound Name2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide
PubChem CID112672962
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide
SMILESCN1CCCc2cc(CNOCC(N)=O)ccc21
InChIInChI=1S/C13H19N3O2/c1-16-6-2-3-11-7-10(4-5-12(11)16)8-15-18-9-13(14)17/h4-5,7,15H,2-3,6,8-9H2,1H3,(H2,14,17)
InChIKeyNDKWZKVCHGTEHT-UHFFFAOYSA-N
XLogP0.58
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]propanamide
CID 106170985
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
1,1-dimethyl-3-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]urea
CID 110478717
4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]phenol
CID 62094965
N-methoxy-1-(1-methyl-2,3-dihydroindol-5-yl)methanamine
CID 82706033
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 110916631
4-ethyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]aniline
CID 62097544
2-[(3,4-dichlorophenyl)methylamino]oxyacetamide
CID 112672874
ethyl N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]carbamate
CID 110479362
1-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]cyclohexan-1-amine
CID 62096877
ethyl 4-[N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111164274
4-[[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]methyl]cyclohexan-1-ol
CID 106125778

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide?
The IUPAC name of 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide (CID 112672962) is 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide.
What is the SMILES notation for 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide?
The canonical SMILES for 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide is CN1CCCc2cc(CNOCC(N)=O)ccc21.
What is the InChIKey of 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide?
The InChIKey is NDKWZKVCHGTEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-6-2-3-11-7-10(4-5-12(11)16)8-15-18-9-13(14)17/h4-5,7,15H,2-3,6,8-9H2,1H3,(H2,14,17).
What are the key properties of 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide?
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide has a molecular weight of 249.31 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]oxyacetamide is sourced from PubChem (CID 112672962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).