7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone

C15H14N4O4 — CID 6096796

IUPAC7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
SMILESO=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(C3CCNCC3)c(=O)c12
InChIInChI=1S/C15H14N4O4/c20-12-8-9(13(21)11-10(12)17-5-6-18-11)15(23)19(14(8)22)7-1-3-16-4-2-7/h5-7,16-18H,1-4H2
InChIKeyIXNMNWSSOIPTSN-UHFFFAOYSA-N
MW314.30 g/mol
LogP-0.75
Rot. Bonds1

About 7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone

7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone (PubChem CID 6096796) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone.

Molecular Properties

Compound Name7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
PubChem CID6096796
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone
SMILESO=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(C3CCNCC3)c(=O)c12
InChIInChI=1S/C15H14N4O4/c20-12-8-9(13(21)11-10(12)17-5-6-18-11)15(23)19(14(8)22)7-1-3-16-4-2-7/h5-7,16-18H,1-4H2
InChIKeyIXNMNWSSOIPTSN-UHFFFAOYSA-N
XLogP-0.75
TPSA116.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone?
The IUPAC name of 7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone (CID 6096796) is 7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone.
What is the SMILES notation for 7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone?
The canonical SMILES for 7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone is O=c1c2[nH]cc[nH]c2c(=O)c2c(=O)n(C3CCNCC3)c(=O)c12.
What is the InChIKey of 7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone?
The InChIKey is IXNMNWSSOIPTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c20-12-8-9(13(21)11-10(12)17-5-6-18-11)15(23)19(14(8)22)7-1-3-16-4-2-7/h5-7,16-18H,1-4H2.
What are the key properties of 7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone?
7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone has a molecular weight of 314.30 g/mol, XLogP of -0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-4-yl-1,4-dihydropyrrolo[3,4-g]quinoxaline-5,6,8,9-tetrone is sourced from PubChem (CID 6096796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).