6-bromo-3-cyclopropyl-2H-quinazoline

C11H11BrN2 — CID 68956138

IUPAC6-bromo-3-cyclopropyl-2H-quinazoline
SMILESBrc1ccc2c(c1)=CN(C1CC1)CN=2
InChIInChI=1S/C11H11BrN2/c12-9-1-4-11-8(5-9)6-14(7-13-11)10-2-3-10/h1,4-6,10H,2-3,7H2
InChIKeyXUEAISOZXAMGIP-UHFFFAOYSA-N
MW251.13 g/mol
LogP1.24
Rot. Bonds1

About 6-bromo-3-cyclopropyl-2H-quinazoline

6-bromo-3-cyclopropyl-2H-quinazoline (PubChem CID 68956138) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 6-bromo-3-cyclopropyl-2H-quinazoline.

Molecular Properties

Compound Name6-bromo-3-cyclopropyl-2H-quinazoline
PubChem CID68956138
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name6-bromo-3-cyclopropyl-2H-quinazoline
SMILESBrc1ccc2c(c1)=CN(C1CC1)CN=2
InChIInChI=1S/C11H11BrN2/c12-9-1-4-11-8(5-9)6-14(7-13-11)10-2-3-10/h1,4-6,10H,2-3,7H2
InChIKeyXUEAISOZXAMGIP-UHFFFAOYSA-N
XLogP1.24
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-3-cyclopropyl-2H-quinazoline 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-cyclopropyl-2H-quinazoline?
The IUPAC name of 6-bromo-3-cyclopropyl-2H-quinazoline (CID 68956138) is 6-bromo-3-cyclopropyl-2H-quinazoline.
What is the SMILES notation for 6-bromo-3-cyclopropyl-2H-quinazoline?
The canonical SMILES for 6-bromo-3-cyclopropyl-2H-quinazoline is Brc1ccc2c(c1)=CN(C1CC1)CN=2.
What is the InChIKey of 6-bromo-3-cyclopropyl-2H-quinazoline?
The InChIKey is XUEAISOZXAMGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c12-9-1-4-11-8(5-9)6-14(7-13-11)10-2-3-10/h1,4-6,10H,2-3,7H2.
What are the key properties of 6-bromo-3-cyclopropyl-2H-quinazoline?
6-bromo-3-cyclopropyl-2H-quinazoline has a molecular weight of 251.13 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-cyclopropyl-2H-quinazoline is sourced from PubChem (CID 68956138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).