1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione

C11H11N3O2 — CID 10443331

IUPAC1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc3c(c2[nH]c1=O)CCNC3
InChIInChI=1S/C11H11N3O2/c15-10-11(16)14-9-7-3-4-12-5-6(7)1-2-8(9)13-10/h1-2,12H,3-5H2,(H,13,15)(H,14,16)
InChIKeySIAMYJHXBZULSQ-UHFFFAOYSA-N
MW217.23 g/mol
LogP-0.14
Rot. Bonds

About 1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione

1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione (PubChem CID 10443331) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione
PubChem CID10443331
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc3c(c2[nH]c1=O)CCNC3
InChIInChI=1S/C11H11N3O2/c15-10-11(16)14-9-7-3-4-12-5-6(7)1-2-8(9)13-10/h1-2,12H,3-5H2,(H,13,15)(H,14,16)
InChIKeySIAMYJHXBZULSQ-UHFFFAOYSA-N
XLogP-0.14
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-0.14
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 1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione?
The IUPAC name of 1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione (CID 10443331) is 1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione.
What is the SMILES notation for 1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione?
The canonical SMILES for 1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione is O=c1[nH]c2ccc3c(c2[nH]c1=O)CCNC3.
What is the InChIKey of 1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione?
The InChIKey is SIAMYJHXBZULSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c15-10-11(16)14-9-7-3-4-12-5-6(7)1-2-8(9)13-10/h1-2,12H,3-5H2,(H,13,15)(H,14,16).
What are the key properties of 1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione?
1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione has a molecular weight of 217.23 g/mol, XLogP of -0.14, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,8,9,10-hexahydropyrido[4,3-f]quinoxaline-2,3-dione is sourced from PubChem (CID 10443331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).