6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine

C19H19BrN4 — CID 1189449

IUPAC6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine
SMILESBrc1ccc2ncnc(Nc3ccc(N4CCCCC4)cc3)c2c1
InChIInChI=1S/C19H19BrN4/c20-14-4-9-18-17(12-14)19(22-13-21-18)23-15-5-7-16(8-6-15)24-10-2-1-3-11-24/h4-9,12-13H,1-3,10-11H2,(H,21,22,23)
InChIKeyWZACZGDCPUZGTI-UHFFFAOYSA-N
MW383.29 g/mol
LogP5.13
Rot. Bonds3

About 6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine

6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine (PubChem CID 1189449) has the molecular formula C19H19BrN4 and a molecular weight of 383.29 g/mol. Its IUPAC name is 6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine
PubChem CID1189449
Molecular FormulaC19H19BrN4
Molecular Weight383.29 g/mol
Exact Mass382.08
IUPAC Name6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine
SMILESBrc1ccc2ncnc(Nc3ccc(N4CCCCC4)cc3)c2c1
InChIInChI=1S/C19H19BrN4/c20-14-4-9-18-17(12-14)19(22-13-21-18)23-15-5-7-16(8-6-15)24-10-2-1-3-11-24/h4-9,12-13H,1-3,10-11H2,(H,21,22,23)
InChIKeyWZACZGDCPUZGTI-UHFFFAOYSA-N
XLogP5.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.29
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-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-piperidin-1-ylphenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine (CID 1189449) is 6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine is Brc1ccc2ncnc(Nc3ccc(N4CCCCC4)cc3)c2c1.
What is the InChIKey of 6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine?
The InChIKey is WZACZGDCPUZGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4/c20-14-4-9-18-17(12-14)19(22-13-21-18)23-15-5-7-16(8-6-15)24-10-2-1-3-11-24/h4-9,12-13H,1-3,10-11H2,(H,21,22,23).
What are the key properties of 6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine?
6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine has a molecular weight of 383.29 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-piperidin-1-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 1189449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).