6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione

C14H17N3O4 — CID 106658413

IUPAC6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC1(C)OCC(Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CO1
InChIInChI=1S/C14H17N3O4/c1-14(2)20-6-9(7-21-14)15-8-3-4-10-11(5-8)17-13(19)12(18)16-10/h3-5,9,15H,6-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZQUUBDRDFNIDBK-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.78
Rot. Bonds2

About 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione

6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 106658413) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
PubChem CID106658413
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
SMILESCC1(C)OCC(Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CO1
InChIInChI=1S/C14H17N3O4/c1-14(2)20-6-9(7-21-14)15-8-3-4-10-11(5-8)17-13(19)12(18)16-10/h3-5,9,15H,6-7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZQUUBDRDFNIDBK-UHFFFAOYSA-N
XLogP0.78
TPSA96.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione (CID 106658413) is 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione is CC1(C)OCC(Nc2ccc3[nH]c(=O)c(=O)[nH]c3c2)CO1.
What is the InChIKey of 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is ZQUUBDRDFNIDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-14(2)20-6-9(7-21-14)15-8-3-4-10-11(5-8)17-13(19)12(18)16-10/h3-5,9,15H,6-7H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione?
6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 291.31 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-dimethyl-1,3-dioxan-5-yl)amino]-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 106658413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).