8-bromo-6-chloro-2-ethylquinazolin-4-amine

C10H9BrClN3 — CID 106583956

IUPAC8-bromo-6-chloro-2-ethylquinazolin-4-amine
SMILESCCc1nc(N)c2cc(Cl)cc(Br)c2n1
InChIInChI=1S/C10H9BrClN3/c1-2-8-14-9-6(10(13)15-8)3-5(12)4-7(9)11/h3-4H,2H2,1H3,(H2,13,14,15)
InChIKeyGWVOYDYGPYTJKS-UHFFFAOYSA-N
MW286.56 g/mol
LogP3.19
Rot. Bonds1

About 8-bromo-6-chloro-2-ethylquinazolin-4-amine

8-bromo-6-chloro-2-ethylquinazolin-4-amine (PubChem CID 106583956) has the molecular formula C10H9BrClN3 and a molecular weight of 286.56 g/mol. Its IUPAC name is 8-bromo-6-chloro-2-ethylquinazolin-4-amine.

Molecular Properties

Compound Name8-bromo-6-chloro-2-ethylquinazolin-4-amine
PubChem CID106583956
Molecular FormulaC10H9BrClN3
Molecular Weight286.56 g/mol
Exact Mass284.97
IUPAC Name8-bromo-6-chloro-2-ethylquinazolin-4-amine
SMILESCCc1nc(N)c2cc(Cl)cc(Br)c2n1
InChIInChI=1S/C10H9BrClN3/c1-2-8-14-9-6(10(13)15-8)3-5(12)4-7(9)11/h3-4H,2H2,1H3,(H2,13,14,15)
InChIKeyGWVOYDYGPYTJKS-UHFFFAOYSA-N
XLogP3.19
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-2-ethylquinazolin-4-amine?
The IUPAC name of 8-bromo-6-chloro-2-ethylquinazolin-4-amine (CID 106583956) is 8-bromo-6-chloro-2-ethylquinazolin-4-amine.
What is the SMILES notation for 8-bromo-6-chloro-2-ethylquinazolin-4-amine?
The canonical SMILES for 8-bromo-6-chloro-2-ethylquinazolin-4-amine is CCc1nc(N)c2cc(Cl)cc(Br)c2n1.
What is the InChIKey of 8-bromo-6-chloro-2-ethylquinazolin-4-amine?
The InChIKey is GWVOYDYGPYTJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3/c1-2-8-14-9-6(10(13)15-8)3-5(12)4-7(9)11/h3-4H,2H2,1H3,(H2,13,14,15).
What are the key properties of 8-bromo-6-chloro-2-ethylquinazolin-4-amine?
8-bromo-6-chloro-2-ethylquinazolin-4-amine has a molecular weight of 286.56 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-2-ethylquinazolin-4-amine is sourced from PubChem (CID 106583956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).