5-bromo-8-chloroquinazoline

C8H4BrClN2 — CID 171373781

IUPAC5-bromo-8-chloroquinazoline
SMILESClc1ccc(Br)c2cncnc12
InChIInChI=1S/C8H4BrClN2/c9-6-1-2-7(10)8-5(6)3-11-4-12-8/h1-4H
InChIKeyWSNZTDNGWFOBIP-UHFFFAOYSA-N
MW243.49 g/mol
LogP3.05
Rot. Bonds

About 5-bromo-8-chloroquinazoline

5-bromo-8-chloroquinazoline (PubChem CID 171373781) has the molecular formula C8H4BrClN2 and a molecular weight of 243.49 g/mol. Its IUPAC name is 5-bromo-8-chloroquinazoline.

Molecular Properties

Compound Name5-bromo-8-chloroquinazoline
PubChem CID171373781
Molecular FormulaC8H4BrClN2
Molecular Weight243.49 g/mol
Exact Mass241.92
IUPAC Name5-bromo-8-chloroquinazoline
SMILESClc1ccc(Br)c2cncnc12
InChIInChI=1S/C8H4BrClN2/c9-6-1-2-7(10)8-5(6)3-11-4-12-8/h1-4H
InChIKeyWSNZTDNGWFOBIP-UHFFFAOYSA-N
XLogP3.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-8-chloroquinazoline 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 5-bromo-8-chloroquinazoline?
The IUPAC name of 5-bromo-8-chloroquinazoline (CID 171373781) is 5-bromo-8-chloroquinazoline.
What is the SMILES notation for 5-bromo-8-chloroquinazoline?
The canonical SMILES for 5-bromo-8-chloroquinazoline is Clc1ccc(Br)c2cncnc12.
What is the InChIKey of 5-bromo-8-chloroquinazoline?
The InChIKey is WSNZTDNGWFOBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2/c9-6-1-2-7(10)8-5(6)3-11-4-12-8/h1-4H.
What are the key properties of 5-bromo-8-chloroquinazoline?
5-bromo-8-chloroquinazoline has a molecular weight of 243.49 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-chloroquinazoline is sourced from PubChem (CID 171373781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).