1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione

C11H7N3O2 — CID 10375912

IUPAC1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc3ncccc3c2[nH]c1=O
InChIInChI=1S/C11H7N3O2/c15-10-11(16)14-9-6-2-1-5-12-7(6)3-4-8(9)13-10/h1-5H,(H,13,15)(H,14,16)
InChIKeyNUGZXISMELFCEY-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.76
Rot. Bonds

About 1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione

1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione (PubChem CID 10375912) has the molecular formula C11H7N3O2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione.

Molecular Properties

Compound Name1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione
PubChem CID10375912
Molecular FormulaC11H7N3O2
Molecular Weight213.20 g/mol
Exact Mass213.05
IUPAC Name1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc3ncccc3c2[nH]c1=O
InChIInChI=1S/C11H7N3O2/c15-10-11(16)14-9-6-2-1-5-12-7(6)3-4-8(9)13-10/h1-5H,(H,13,15)(H,14,16)
InChIKeyNUGZXISMELFCEY-UHFFFAOYSA-N
XLogP0.76
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione?
The IUPAC name of 1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione (CID 10375912) is 1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione.
What is the SMILES notation for 1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione?
The canonical SMILES for 1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione is O=c1[nH]c2ccc3ncccc3c2[nH]c1=O.
What is the InChIKey of 1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione?
The InChIKey is NUGZXISMELFCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O2/c15-10-11(16)14-9-6-2-1-5-12-7(6)3-4-8(9)13-10/h1-5H,(H,13,15)(H,14,16).
What are the key properties of 1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione?
1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione has a molecular weight of 213.20 g/mol, XLogP of 0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrido[3,2-f]quinoxaline-2,3-dione is sourced from PubChem (CID 10375912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).