8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione

C12H7BrN2O3 — CID 117261841

IUPAC8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(Br)cccc2c(=O)n1-c1ccco1
InChIInChI=1S/C12H7BrN2O3/c13-8-4-1-3-7-10(8)14-12(17)15(11(7)16)9-5-2-6-18-9/h1-6H,(H,14,17)
InChIKeyWWWLXTLSOFYJTH-UHFFFAOYSA-N
MW307.10 g/mol
LogP2.03
Rot. Bonds1

About 8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione

8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione (PubChem CID 117261841) has the molecular formula C12H7BrN2O3 and a molecular weight of 307.10 g/mol. Its IUPAC name is 8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione
PubChem CID117261841
Molecular FormulaC12H7BrN2O3
Molecular Weight307.10 g/mol
Exact Mass305.96
IUPAC Name8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2c(Br)cccc2c(=O)n1-c1ccco1
InChIInChI=1S/C12H7BrN2O3/c13-8-4-1-3-7-10(8)14-12(17)15(11(7)16)9-5-2-6-18-9/h1-6H,(H,14,17)
InChIKeyWWWLXTLSOFYJTH-UHFFFAOYSA-N
XLogP2.03
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.10
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-bromo-3-(furan-2-yl)-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-(furan-2-yl)-1H-quinazoline-2,4-dione?
The IUPAC name of 8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione (CID 117261841) is 8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione is O=c1[nH]c2c(Br)cccc2c(=O)n1-c1ccco1.
What is the InChIKey of 8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione?
The InChIKey is WWWLXTLSOFYJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O3/c13-8-4-1-3-7-10(8)14-12(17)15(11(7)16)9-5-2-6-18-9/h1-6H,(H,14,17).
What are the key properties of 8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione?
8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione has a molecular weight of 307.10 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(furan-2-yl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).