6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine

C18H17BrN4O — CID 25018825

IUPAC6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
SMILESBrc1ccc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2c1
InChIInChI=1S/C18H17BrN4O/c19-14-1-6-17-13(11-14)12-20-18(22-17)21-15-2-4-16(5-3-15)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2,(H,20,21,22)
InChIKeyCQSVCACCYFVKFV-UHFFFAOYSA-N
MW385.27 g/mol
LogP3.97
Rot. Bonds3

About 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine

6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine (PubChem CID 25018825) has the molecular formula C18H17BrN4O and a molecular weight of 385.27 g/mol. Its IUPAC name is 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
PubChem CID25018825
Molecular FormulaC18H17BrN4O
Molecular Weight385.27 g/mol
Exact Mass384.06
IUPAC Name6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine
SMILESBrc1ccc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2c1
InChIInChI=1S/C18H17BrN4O/c19-14-1-6-17-13(11-14)12-20-18(22-17)21-15-2-4-16(5-3-15)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2,(H,20,21,22)
InChIKeyCQSVCACCYFVKFV-UHFFFAOYSA-N
XLogP3.97
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine 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-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The IUPAC name of 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine (CID 25018825) is 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine.
What is the SMILES notation for 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The canonical SMILES for 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine is Brc1ccc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2c1.
What is the InChIKey of 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
The InChIKey is CQSVCACCYFVKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O/c19-14-1-6-17-13(11-14)12-20-18(22-17)21-15-2-4-16(5-3-15)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2,(H,20,21,22).
What are the key properties of 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine?
6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine has a molecular weight of 385.27 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-morpholin-4-ylphenyl)quinazolin-2-amine is sourced from PubChem (CID 25018825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).