4-(3-bromophenoxy)quinazoline

C14H9BrN2O — CID 5328018

IUPAC4-(3-bromophenoxy)quinazoline
SMILESBrc1cccc(Oc2ncnc3ccccc23)c1
InChIInChI=1S/C14H9BrN2O/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H
InChIKeyGHYKYLGHIXGESB-UHFFFAOYSA-N
MW301.14 g/mol
LogP4.18
Rot. Bonds2

About 4-(3-bromophenoxy)quinazoline

4-(3-bromophenoxy)quinazoline (PubChem CID 5328018) has the molecular formula C14H9BrN2O and a molecular weight of 301.14 g/mol. Its IUPAC name is 4-(3-bromophenoxy)quinazoline.

Molecular Properties

Compound Name4-(3-bromophenoxy)quinazoline
PubChem CID5328018
Molecular FormulaC14H9BrN2O
Molecular Weight301.14 g/mol
Exact Mass299.99
IUPAC Name4-(3-bromophenoxy)quinazoline
SMILESBrc1cccc(Oc2ncnc3ccccc23)c1
InChIInChI=1S/C14H9BrN2O/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H
InChIKeyGHYKYLGHIXGESB-UHFFFAOYSA-N
XLogP4.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenoxy)quinazoline?
The IUPAC name of 4-(3-bromophenoxy)quinazoline (CID 5328018) is 4-(3-bromophenoxy)quinazoline.
What is the SMILES notation for 4-(3-bromophenoxy)quinazoline?
The canonical SMILES for 4-(3-bromophenoxy)quinazoline is Brc1cccc(Oc2ncnc3ccccc23)c1.
What is the InChIKey of 4-(3-bromophenoxy)quinazoline?
The InChIKey is GHYKYLGHIXGESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O/c15-10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H.
What are the key properties of 4-(3-bromophenoxy)quinazoline?
4-(3-bromophenoxy)quinazoline has a molecular weight of 301.14 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenoxy)quinazoline is sourced from PubChem (CID 5328018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).