6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione

C13H17N3O2 — CID 43723389

IUPAC6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione
SMILESCCC(C)CNc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O2/c1-3-8(2)7-14-9-4-5-10-11(6-9)16-13(18)12(17)15-10/h4-6,8,14H,3,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLYNFKZZLOQCHQH-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.67
Rot. Bonds4

About 6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione

6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 43723389) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID43723389
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione
SMILESCCC(C)CNc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C13H17N3O2/c1-3-8(2)7-14-9-4-5-10-11(6-9)16-13(18)12(17)15-10/h4-6,8,14H,3,7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyLYNFKZZLOQCHQH-UHFFFAOYSA-N
XLogP1.67
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-methylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 43201929
6-(2-methylbutylamino)-3H-1,3-benzothiazole-2-thione
CID 141055343
6-[(3-methoxy-3-methylbutyl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 106675245
6-(hexan-2-ylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 43786681
6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 65337980
2-methyl-6-(2-methylbutylamino)-4H-1,4-benzoxazin-3-one
CID 43685669
6-[(5-methyl-2-pyridinyl)methylamino]-1,4-dihydroquinoxaline-2,3-dione
CID 81307955
5-(3-methylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 28622281
3-methyl-N-(2-methylbutyl)aniline
CID 43103774
N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)acetamide
CID 60700393
3-amino-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)butanamide
CID 60836174
3-butan-2-yl-7-(ethylamino)-1H-quinolin-2-one
CID 170712437

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione (CID 43723389) is 6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione is CCC(C)CNc1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is LYNFKZZLOQCHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-3-8(2)7-14-9-4-5-10-11(6-9)16-13(18)12(17)15-10/h4-6,8,14H,3,7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione?
6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 247.30 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylbutylamino)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 43723389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).