6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine

C17H16BrN3 — CID 64983259

IUPAC6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine
SMILESCC(C)c1ccc(-c2nc(N)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C17H16BrN3/c1-10(2)11-3-5-12(6-4-11)17-20-15-8-7-13(18)9-14(15)16(19)21-17/h3-10H,1-2H3,(H2,19,20,21)
InChIKeyFJLQWGCSESDHKR-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.76
Rot. Bonds2

About 6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine

6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine (PubChem CID 64983259) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine
PubChem CID64983259
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine
SMILESCC(C)c1ccc(-c2nc(N)c3cc(Br)ccc3n2)cc1
InChIInChI=1S/C17H16BrN3/c1-10(2)11-3-5-12(6-4-11)17-20-15-8-7-13(18)9-14(15)16(19)21-17/h3-10H,1-2H3,(H2,19,20,21)
InChIKeyFJLQWGCSESDHKR-UHFFFAOYSA-N
XLogP4.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine (CID 64983259) is 6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine is CC(C)c1ccc(-c2nc(N)c3cc(Br)ccc3n2)cc1.
What is the InChIKey of 6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine?
The InChIKey is FJLQWGCSESDHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-10(2)11-3-5-12(6-4-11)17-20-15-8-7-13(18)9-14(15)16(19)21-17/h3-10H,1-2H3,(H2,19,20,21).
What are the key properties of 6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine?
6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine has a molecular weight of 342.24 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-propan-2-ylphenyl)quinazolin-4-amine is sourced from PubChem (CID 64983259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).