6-bromo-3-propyl-4aH-quinazoline-2,4-dione

C11H11BrN2O2 — CID 73195904

IUPAC6-bromo-3-propyl-4aH-quinazoline-2,4-dione
SMILESCCCN1C(=O)N=C2C=CC(Br)=CC2C1=O
InChIInChI=1S/C11H11BrN2O2/c1-2-5-14-10(15)8-6-7(12)3-4-9(8)13-11(14)16/h3-4,6,8H,2,5H2,1H3
InChIKeyLKWQIYOOAYZGHE-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.26
Rot. Bonds2

About 6-bromo-3-propyl-4aH-quinazoline-2,4-dione

6-bromo-3-propyl-4aH-quinazoline-2,4-dione (PubChem CID 73195904) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 6-bromo-3-propyl-4aH-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-bromo-3-propyl-4aH-quinazoline-2,4-dione
PubChem CID73195904
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name6-bromo-3-propyl-4aH-quinazoline-2,4-dione
SMILESCCCN1C(=O)N=C2C=CC(Br)=CC2C1=O
InChIInChI=1S/C11H11BrN2O2/c1-2-5-14-10(15)8-6-7(12)3-4-9(8)13-11(14)16/h3-4,6,8H,2,5H2,1H3
InChIKeyLKWQIYOOAYZGHE-UHFFFAOYSA-N
XLogP2.26
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-3-propyl-4aH-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 6-bromo-3-propyl-4aH-quinazoline-2,4-dione?
The IUPAC name of 6-bromo-3-propyl-4aH-quinazoline-2,4-dione (CID 73195904) is 6-bromo-3-propyl-4aH-quinazoline-2,4-dione.
What is the SMILES notation for 6-bromo-3-propyl-4aH-quinazoline-2,4-dione?
The canonical SMILES for 6-bromo-3-propyl-4aH-quinazoline-2,4-dione is CCCN1C(=O)N=C2C=CC(Br)=CC2C1=O.
What is the InChIKey of 6-bromo-3-propyl-4aH-quinazoline-2,4-dione?
The InChIKey is LKWQIYOOAYZGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-2-5-14-10(15)8-6-7(12)3-4-9(8)13-11(14)16/h3-4,6,8H,2,5H2,1H3.
What are the key properties of 6-bromo-3-propyl-4aH-quinazoline-2,4-dione?
6-bromo-3-propyl-4aH-quinazoline-2,4-dione has a molecular weight of 283.12 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-propyl-4aH-quinazoline-2,4-dione is sourced from PubChem (CID 73195904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).