6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine

C16H14BrN3O2 — CID 1167228

IUPAC6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(Nc2ncnc3ccc(Br)cc23)c(OC)c1
InChIInChI=1S/C16H14BrN3O2/c1-21-11-4-6-14(15(8-11)22-2)20-16-12-7-10(17)3-5-13(12)18-9-19-16/h3-9H,1-2H3,(H,18,19,20)
InChIKeyLTLPHMSJMFUGED-UHFFFAOYSA-N
MW360.21 g/mol
LogP4.15
Rot. Bonds4

About 6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine

6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine (PubChem CID 1167228) has the molecular formula C16H14BrN3O2 and a molecular weight of 360.21 g/mol. Its IUPAC name is 6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine
PubChem CID1167228
Molecular FormulaC16H14BrN3O2
Molecular Weight360.21 g/mol
Exact Mass359.03
IUPAC Name6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine
SMILESCOc1ccc(Nc2ncnc3ccc(Br)cc23)c(OC)c1
InChIInChI=1S/C16H14BrN3O2/c1-21-11-4-6-14(15(8-11)22-2)20-16-12-7-10(17)3-5-13(12)18-9-19-16/h3-9H,1-2H3,(H,18,19,20)
InChIKeyLTLPHMSJMFUGED-UHFFFAOYSA-N
XLogP4.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine (CID 1167228) is 6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine is COc1ccc(Nc2ncnc3ccc(Br)cc23)c(OC)c1.
What is the InChIKey of 6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine?
The InChIKey is LTLPHMSJMFUGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O2/c1-21-11-4-6-14(15(8-11)22-2)20-16-12-7-10(17)3-5-13(12)18-9-19-16/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine?
6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine has a molecular weight of 360.21 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,4-dimethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 1167228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).