2-bromo-7-iodoquinazolin-4-amine

C8H5BrIN3 — CID 133059164

IUPAC2-bromo-7-iodoquinazolin-4-amine
SMILESNc1nc(Br)nc2cc(I)ccc12
InChIInChI=1S/C8H5BrIN3/c9-8-12-6-3-4(10)1-2-5(6)7(11)13-8/h1-3H,(H2,11,12,13)
InChIKeyFDAJJQPUSVHCEK-UHFFFAOYSA-N
MW349.96 g/mol
LogP2.58
Rot. Bonds

About 2-bromo-7-iodoquinazolin-4-amine

2-bromo-7-iodoquinazolin-4-amine (PubChem CID 133059164) has the molecular formula C8H5BrIN3 and a molecular weight of 349.96 g/mol. Its IUPAC name is 2-bromo-7-iodoquinazolin-4-amine.

Molecular Properties

Compound Name2-bromo-7-iodoquinazolin-4-amine
PubChem CID133059164
Molecular FormulaC8H5BrIN3
Molecular Weight349.96 g/mol
Exact Mass348.87
IUPAC Name2-bromo-7-iodoquinazolin-4-amine
SMILESNc1nc(Br)nc2cc(I)ccc12
InChIInChI=1S/C8H5BrIN3/c9-8-12-6-3-4(10)1-2-5(6)7(11)13-8/h1-3H,(H2,11,12,13)
InChIKeyFDAJJQPUSVHCEK-UHFFFAOYSA-N
XLogP2.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.96
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-7-iodoquinolin-2-amine
CID 126637464
6-iodo-2-methylquinolin-4-amine
CID 62201802
3,6-diiodoacridine
CID 634773
2-(1-benzylindazol-5-yl)-7-iodoquinazolin-4-amine
CID 57038816
2,7-dimethylquinazolin-4-amine
CID 59095817
7-iodo-2-methyl-3H-quinazolin-4-one
CID 135742316
2-benzyl-6-iodoquinazolin-4-amine
CID 163550533
3-bromo-7-iodo-2-methylquinoline
CID 158773236
4-bromo-6-iodo-2-methylquinazoline
CID 106584118
4-amino-2-chloroquinazolin-7-ol
CID 136693537
3-bromo-2,4-dichloro-6-iodoquinoline
CID 87158124
1-[(5-bromothiophen-2-yl)methyl]-5-iodobenzimidazol-2-amine
CID 66080809

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-iodoquinazolin-4-amine?
The IUPAC name of 2-bromo-7-iodoquinazolin-4-amine (CID 133059164) is 2-bromo-7-iodoquinazolin-4-amine.
What is the SMILES notation for 2-bromo-7-iodoquinazolin-4-amine?
The canonical SMILES for 2-bromo-7-iodoquinazolin-4-amine is Nc1nc(Br)nc2cc(I)ccc12.
What is the InChIKey of 2-bromo-7-iodoquinazolin-4-amine?
The InChIKey is FDAJJQPUSVHCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrIN3/c9-8-12-6-3-4(10)1-2-5(6)7(11)13-8/h1-3H,(H2,11,12,13).
What are the key properties of 2-bromo-7-iodoquinazolin-4-amine?
2-bromo-7-iodoquinazolin-4-amine has a molecular weight of 349.96 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-iodoquinazolin-4-amine is sourced from PubChem (CID 133059164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).