4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine

C12H11BrN6O — CID 15709385

IUPAC4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine
SMILESBrc1ccc2nc(N3CCOCC3)n3nnnc3c2c1
InChIInChI=1S/C12H11BrN6O/c13-8-1-2-10-9(7-8)11-15-16-17-19(11)12(14-10)18-3-5-20-6-4-18/h1-2,7H,3-6H2
InChIKeyNRPFFHSZVHJJJP-UHFFFAOYSA-N
MW335.17 g/mol
LogP1.27
Rot. Bonds1

About 4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine

4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine (PubChem CID 15709385) has the molecular formula C12H11BrN6O and a molecular weight of 335.17 g/mol. Its IUPAC name is 4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine.

Molecular Properties

Compound Name4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine
PubChem CID15709385
Molecular FormulaC12H11BrN6O
Molecular Weight335.17 g/mol
Exact Mass334.02
IUPAC Name4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine
SMILESBrc1ccc2nc(N3CCOCC3)n3nnnc3c2c1
InChIInChI=1S/C12H11BrN6O/c13-8-1-2-10-9(7-8)11-15-16-17-19(11)12(14-10)18-3-5-20-6-4-18/h1-2,7H,3-6H2
InChIKeyNRPFFHSZVHJJJP-UHFFFAOYSA-N
XLogP1.27
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine 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 4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine?
The IUPAC name of 4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine (CID 15709385) is 4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine.
What is the SMILES notation for 4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine?
The canonical SMILES for 4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine is Brc1ccc2nc(N3CCOCC3)n3nnnc3c2c1.
What is the InChIKey of 4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine?
The InChIKey is NRPFFHSZVHJJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN6O/c13-8-1-2-10-9(7-8)11-15-16-17-19(11)12(14-10)18-3-5-20-6-4-18/h1-2,7H,3-6H2.
What are the key properties of 4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine?
4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine has a molecular weight of 335.17 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-bromotetrazolo[1,5-c]quinazolin-5-yl)morpholine is sourced from PubChem (CID 15709385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).