4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one

C11H14N2O2 — CID 82706106

IUPAC4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCONC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C11H14N2O2/c1-13-10-6-4-3-5-8(10)9(12-15-2)7-11(13)14/h3-6,9,12H,7H2,1-2H3
InChIKeyOTWGQQHVAPMXHF-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.25
Rot. Bonds2

About 4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one

4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 82706106) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID82706106
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one
SMILESCONC1CC(=O)N(C)c2ccccc21
InChIInChI=1S/C11H14N2O2/c1-13-10-6-4-3-5-8(10)9(12-15-2)7-11(13)14/h3-6,9,12H,7H2,1-2H3
InChIKeyOTWGQQHVAPMXHF-UHFFFAOYSA-N
XLogP1.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one (CID 82706106) is 4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one is CONC1CC(=O)N(C)c2ccccc21.
What is the InChIKey of 4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is OTWGQQHVAPMXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-10-6-4-3-5-8(10)9(12-15-2)7-11(13)14/h3-6,9,12H,7H2,1-2H3.
What are the key properties of 4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one?
4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 206.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxyamino)-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 82706106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).