8-bromo-3-phenyl-1H-quinazoline-2,4-dione

C14H9BrN2O2 — CID 117261927

IUPAC8-bromo-3-phenyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(Br)cccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H9BrN2O2/c15-11-8-4-7-10-12(11)16-14(19)17(13(10)18)9-5-2-1-3-6-9/h1-8H,(H,16,19)
InChIKeyMOZWVRRKROVELO-UHFFFAOYSA-N
MW317.14 g/mol
LogP2.44
Rot. Bonds1

About 8-bromo-3-phenyl-1H-quinazoline-2,4-dione

8-bromo-3-phenyl-1H-quinazoline-2,4-dione (PubChem CID 117261927) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 8-bromo-3-phenyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-bromo-3-phenyl-1H-quinazoline-2,4-dione
PubChem CID117261927
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name8-bromo-3-phenyl-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(Br)cccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C14H9BrN2O2/c15-11-8-4-7-10-12(11)16-14(19)17(13(10)18)9-5-2-1-3-6-9/h1-8H,(H,16,19)
InChIKeyMOZWVRRKROVELO-UHFFFAOYSA-N
XLogP2.44
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-bromo-3-phenyl-1H-quinazoline-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 8-bromo-3-phenyl-1H-quinazoline-2,4-dione?
The IUPAC name of 8-bromo-3-phenyl-1H-quinazoline-2,4-dione (CID 117261927) is 8-bromo-3-phenyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-bromo-3-phenyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-bromo-3-phenyl-1H-quinazoline-2,4-dione is O=c1[nH]c2c(Br)cccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 8-bromo-3-phenyl-1H-quinazoline-2,4-dione?
The InChIKey is MOZWVRRKROVELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-11-8-4-7-10-12(11)16-14(19)17(13(10)18)9-5-2-1-3-6-9/h1-8H,(H,16,19).
What are the key properties of 8-bromo-3-phenyl-1H-quinazoline-2,4-dione?
8-bromo-3-phenyl-1H-quinazoline-2,4-dione has a molecular weight of 317.14 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-phenyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).