6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione

C13H17N3O3 — CID 65337980

IUPAC6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC(Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(C)(C)O
InChIInChI=1S/C13H17N3O3/c1-7(13(2,3)19)14-8-4-5-9-10(6-8)16-12(18)11(17)15-9/h4-7,14,19H,1-3H3,(H,15,17)(H,16,18)
InChIKeyYLRBANDXDZNPMB-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.79
Rot. Bonds3

About 6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione

6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 65337980) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID65337980
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC(Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(C)(C)O
InChIInChI=1S/C13H17N3O3/c1-7(13(2,3)19)14-8-4-5-9-10(6-8)16-12(18)11(17)15-9/h4-7,14,19H,1-3H3,(H,15,17)(H,16,18)
InChIKeyYLRBANDXDZNPMB-UHFFFAOYSA-N
XLogP0.79
TPSA97.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione (CID 65337980) is 6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione is CC(Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1)C(C)(C)O.
What is the InChIKey of 6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is YLRBANDXDZNPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-7(13(2,3)19)14-8-4-5-9-10(6-8)16-12(18)11(17)15-9/h4-7,14,19H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 263.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 65337980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).