6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine

C16H14BrN3O — CID 702722

IUPAC6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine
SMILESCCOc1ccccc1Nc1ncnc2ccc(Br)cc12
InChIInChI=1S/C16H14BrN3O/c1-2-21-15-6-4-3-5-14(15)20-16-12-9-11(17)7-8-13(12)18-10-19-16/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyVWLSZPJZTQLOJS-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.53
Rot. Bonds4

About 6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine

6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine (PubChem CID 702722) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine
PubChem CID702722
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine
SMILESCCOc1ccccc1Nc1ncnc2ccc(Br)cc12
InChIInChI=1S/C16H14BrN3O/c1-2-21-15-6-4-3-5-14(15)20-16-12-9-11(17)7-8-13(12)18-10-19-16/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyVWLSZPJZTQLOJS-UHFFFAOYSA-N
XLogP4.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-(2-ethoxyphenyl)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-(2-ethoxyphenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine (CID 702722) is 6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine is CCOc1ccccc1Nc1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine?
The InChIKey is VWLSZPJZTQLOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-2-21-15-6-4-3-5-14(15)20-16-12-9-11(17)7-8-13(12)18-10-19-16/h3-10H,2H2,1H3,(H,18,19,20).
What are the key properties of 6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine?
6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine has a molecular weight of 344.21 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-ethoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 702722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).