6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine

C14H15BrIN3 — CID 89299405

IUPAC6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine
SMILESBrc1ccc2nc(I)nc(NC3CCCCC3)c2c1
InChIInChI=1S/C14H15BrIN3/c15-9-6-7-12-11(8-9)13(19-14(16)18-12)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,17,18,19)
InChIKeyVRBHJAJHCUSSGW-UHFFFAOYSA-N
MW432.10 g/mol
LogP4.74
Rot. Bonds2

About 6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine

6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine (PubChem CID 89299405) has the molecular formula C14H15BrIN3 and a molecular weight of 432.10 g/mol. Its IUPAC name is 6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine
PubChem CID89299405
Molecular FormulaC14H15BrIN3
Molecular Weight432.10 g/mol
Exact Mass430.95
IUPAC Name6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine
SMILESBrc1ccc2nc(I)nc(NC3CCCCC3)c2c1
InChIInChI=1S/C14H15BrIN3/c15-9-6-7-12-11(8-9)13(19-14(16)18-12)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,17,18,19)
InChIKeyVRBHJAJHCUSSGW-UHFFFAOYSA-N
XLogP4.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.10
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 6-bromo-N-cyclohexyl-2-iodoquinazolin-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-cyclohexyl-2-iodoquinazolin-4-amine?
The IUPAC name of 6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine (CID 89299405) is 6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine?
The canonical SMILES for 6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine is Brc1ccc2nc(I)nc(NC3CCCCC3)c2c1.
What is the InChIKey of 6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine?
The InChIKey is VRBHJAJHCUSSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrIN3/c15-9-6-7-12-11(8-9)13(19-14(16)18-12)17-10-4-2-1-3-5-10/h6-8,10H,1-5H2,(H,17,18,19).
What are the key properties of 6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine?
6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine has a molecular weight of 432.10 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-cyclohexyl-2-iodoquinazolin-4-amine is sourced from PubChem (CID 89299405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).