1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione

C15H9N3O3 — CID 170355679

IUPAC1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione
SMILESO=C1c2cccc3cccc(c23)N1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H9N3O3/c19-12-7-8-17(15(21)16-12)18-11-6-2-4-9-3-1-5-10(13(9)11)14(18)20/h1-8H,(H,16,19,21)
InChIKeyMMBYJYCBPWWKFA-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.11
Rot. Bonds1

About 1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione

1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione (PubChem CID 170355679) has the molecular formula C15H9N3O3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione
PubChem CID170355679
Molecular FormulaC15H9N3O3
Molecular Weight279.26 g/mol
Exact Mass279.06
IUPAC Name1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione
SMILESO=C1c2cccc3cccc(c23)N1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H9N3O3/c19-12-7-8-17(15(21)16-12)18-11-6-2-4-9-3-1-5-10(13(9)11)14(18)20/h1-8H,(H,16,19,21)
InChIKeyMMBYJYCBPWWKFA-UHFFFAOYSA-N
XLogP1.11
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione (CID 170355679) is 1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione is O=C1c2cccc3cccc(c23)N1n1ccc(=O)[nH]c1=O.
What is the InChIKey of 1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione?
The InChIKey is MMBYJYCBPWWKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O3/c19-12-7-8-17(15(21)16-12)18-11-6-2-4-9-3-1-5-10(13(9)11)14(18)20/h1-8H,(H,16,19,21).
What are the key properties of 1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione?
1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione has a molecular weight of 279.26 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxobenzo[cd]indol-1-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 170355679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).