1H-pyrrolo[2,3-f]quinazoline-2,3-dione

C10H5N3O2 — CID 162353017

IUPAC1H-pyrrolo[2,3-f]quinazoline-2,3-dione
SMILESO=C1Nc2c(ccc3ncncc23)C1=O
InChIInChI=1S/C10H5N3O2/c14-9-5-1-2-7-6(3-11-4-12-7)8(5)13-10(9)15/h1-4H,(H,13,14,15)
InChIKeyTZDWPJOMMLPHOK-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.76
Rot. Bonds

About 1H-pyrrolo[2,3-f]quinazoline-2,3-dione

1H-pyrrolo[2,3-f]quinazoline-2,3-dione (PubChem CID 162353017) has the molecular formula C10H5N3O2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-f]quinazoline-2,3-dione.

Molecular Properties

Compound Name1H-pyrrolo[2,3-f]quinazoline-2,3-dione
PubChem CID162353017
Molecular FormulaC10H5N3O2
Molecular Weight199.17 g/mol
Exact Mass199.04
IUPAC Name1H-pyrrolo[2,3-f]quinazoline-2,3-dione
SMILESO=C1Nc2c(ccc3ncncc23)C1=O
InChIInChI=1S/C10H5N3O2/c14-9-5-1-2-7-6(3-11-4-12-7)8(5)13-10(9)15/h1-4H,(H,13,14,15)
InChIKeyTZDWPJOMMLPHOK-UHFFFAOYSA-N
XLogP0.76
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1H-pyrrolo[2,3-f]quinazoline-2,3-dione?
The IUPAC name of 1H-pyrrolo[2,3-f]quinazoline-2,3-dione (CID 162353017) is 1H-pyrrolo[2,3-f]quinazoline-2,3-dione.
What is the SMILES notation for 1H-pyrrolo[2,3-f]quinazoline-2,3-dione?
The canonical SMILES for 1H-pyrrolo[2,3-f]quinazoline-2,3-dione is O=C1Nc2c(ccc3ncncc23)C1=O.
What is the InChIKey of 1H-pyrrolo[2,3-f]quinazoline-2,3-dione?
The InChIKey is TZDWPJOMMLPHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O2/c14-9-5-1-2-7-6(3-11-4-12-7)8(5)13-10(9)15/h1-4H,(H,13,14,15).
What are the key properties of 1H-pyrrolo[2,3-f]quinazoline-2,3-dione?
1H-pyrrolo[2,3-f]quinazoline-2,3-dione has a molecular weight of 199.17 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-f]quinazoline-2,3-dione is sourced from PubChem (CID 162353017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).