6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione

C14H19N3O2 — CID 62678408

IUPAC6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCCC(C)(C)C(N)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-4-14(2,3)11(15)8-5-6-9-10(7-8)17-13(19)12(18)16-9/h5-7,11H,4,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyVEKDSMYGNLXJKR-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.65
Rot. Bonds3

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

6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 62678408) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione
PubChem CID62678408
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione
SMILESCCC(C)(C)C(N)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C14H19N3O2/c1-4-14(2,3)11(15)8-5-6-9-10(7-8)17-13(19)12(18)16-9/h5-7,11H,4,15H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyVEKDSMYGNLXJKR-UHFFFAOYSA-N
XLogP1.65
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione (CID 62678408) is 6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione is CCC(C)(C)C(N)c1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is VEKDSMYGNLXJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-14(2,3)11(15)8-5-6-9-10(7-8)17-13(19)12(18)16-9/h5-7,11H,4,15H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione?
6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 261.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-amino-2,2-dimethylbutyl)-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 62678408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).