6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione

C14H19N3O3 — CID 106675245

IUPAC6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCOC(C)(C)CCNc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O3/c1-14(2,20-3)6-7-15-9-4-5-10-11(8-9)17-13(19)12(18)16-10/h4-5,8,15H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyATUDGXOGJJSTBJ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.44
Rot. Bonds5

About 6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione

6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 106675245) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID106675245
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCOC(C)(C)CCNc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O3/c1-14(2,20-3)6-7-15-9-4-5-10-11(8-9)17-13(19)12(18)16-10/h4-5,8,15H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyATUDGXOGJJSTBJ-UHFFFAOYSA-N
XLogP1.44
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione with MolForge

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Related Compounds

N-(3-methoxy-3-methylbutyl)-1H-indazol-6-amine
CID 106675315
6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 43723389
5-(3-methylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 28622281
3-[(3-methoxy-3-methylbutyl)amino]benzoic acid
CID 106675116
4-fluoro-N-(3-methoxy-3-methylbutyl)-3-(trifluoromethyl)aniline
CID 102975771
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)-2-methoxyacetamide
CID 60701020
1-N-(3-methoxy-3-methylbutyl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 103033160
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
CID 60700393
6-[(3-fluorophenyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 43723400
methyl 2,2-dimethyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propanoate
CID 115233592
6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 65337980
2,6-difluoro-N-(3-methoxy-3-methylbutyl)aniline
CID 102975625

Frequently Asked Questions

What is the IUPAC name of 6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione (CID 106675245) is 6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione is COC(C)(C)CCNc1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is ATUDGXOGJJSTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2,20-3)6-7-15-9-4-5-10-11(8-9)17-13(19)12(18)16-10/h4-5,8,15H,6-7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione?
6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 277.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 106675245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).