6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one

C12H16N2O3 — CID 82496765

IUPAC6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one
SMILESCOCCNc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C12H16N2O3/c1-14-10-7-9(13-5-6-16-2)3-4-11(10)17-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyVUIXZMPJOQWCIO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.10
Rot. Bonds4

About 6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one

6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one (PubChem CID 82496765) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one
PubChem CID82496765
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one
SMILESCOCCNc1ccc2c(c1)N(C)C(=O)CO2
InChIInChI=1S/C12H16N2O3/c1-14-10-7-9(13-5-6-16-2)3-4-11(10)17-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyVUIXZMPJOQWCIO-UHFFFAOYSA-N
XLogP1.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82499150
methyl 3-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]propanoate
CID 82316757
6-[(4-amino-3-methylbutyl)amino]-4-methyl-1,4-benzoxazin-3-one
CID 115202971
6-(2,3-diaminopropylamino)-4-methyl-1,4-benzoxazin-3-one
CID 115119417
N-(3-methoxypropyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 110758981
6-[2-(hydroxymethyl)butylamino]-4-methyl-1,4-benzoxazin-3-one
CID 115250542
1-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 46970772
6-hydroperoxy-4-methyl-1,4-benzoxazin-3-one
CID 118920596
tert-butyl N-[2-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)carbamothioylamino]ethyl]carbamate
CID 84554050
(2S)-2-(3-methoxypropyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)piperidine-1-carboxamide
CID 125435903
4-hydroxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanamide
CID 115162804
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one (CID 82496765) is 6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one is COCCNc1ccc2c(c1)N(C)C(=O)CO2.
What is the InChIKey of 6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is VUIXZMPJOQWCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-14-10-7-9(13-5-6-16-2)3-4-11(10)17-8-12(14)15/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one?
6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 236.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82496765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).