6-bromo-N-(3-bromophenyl)quinazolin-4-amine

C14H9Br2N3 — CID 46879644

IUPAC6-bromo-N-(3-bromophenyl)quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C14H9Br2N3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
InChIKeyGBBRIESLSQOJQX-UHFFFAOYSA-N
MW379.06 g/mol
LogP4.90
Rot. Bonds2

About 6-bromo-N-(3-bromophenyl)quinazolin-4-amine

6-bromo-N-(3-bromophenyl)quinazolin-4-amine (PubChem CID 46879644) has the molecular formula C14H9Br2N3 and a molecular weight of 379.06 g/mol. Its IUPAC name is 6-bromo-N-(3-bromophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-bromophenyl)quinazolin-4-amine
PubChem CID46879644
Molecular FormulaC14H9Br2N3
Molecular Weight379.06 g/mol
Exact Mass376.92
IUPAC Name6-bromo-N-(3-bromophenyl)quinazolin-4-amine
SMILESBrc1cccc(Nc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C14H9Br2N3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
InChIKeyGBBRIESLSQOJQX-UHFFFAOYSA-N
XLogP4.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.06
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-bromophenyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-(3-bromophenyl)quinazolin-4-amine (CID 46879644) is 6-bromo-N-(3-bromophenyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-bromophenyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-(3-bromophenyl)quinazolin-4-amine is Brc1cccc(Nc2ncnc3ccc(Br)cc23)c1.
What is the InChIKey of 6-bromo-N-(3-bromophenyl)quinazolin-4-amine?
The InChIKey is GBBRIESLSQOJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2N3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19).
What are the key properties of 6-bromo-N-(3-bromophenyl)quinazolin-4-amine?
6-bromo-N-(3-bromophenyl)quinazolin-4-amine has a molecular weight of 379.06 g/mol, XLogP of 4.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-bromophenyl)quinazolin-4-amine is sourced from PubChem (CID 46879644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).