6-bromo-4-(3-bromophenoxy)quinazoline

C14H8Br2N2O — CID 46879775

IUPAC6-bromo-4-(3-bromophenoxy)quinazoline
SMILESBrc1cccc(Oc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C14H8Br2N2O/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H
InChIKeyGOZJZNCFQLRTEY-UHFFFAOYSA-N
MW380.04 g/mol
LogP4.95
Rot. Bonds2

About 6-bromo-4-(3-bromophenoxy)quinazoline

6-bromo-4-(3-bromophenoxy)quinazoline (PubChem CID 46879775) has the molecular formula C14H8Br2N2O and a molecular weight of 380.04 g/mol. Its IUPAC name is 6-bromo-4-(3-bromophenoxy)quinazoline.

Molecular Properties

Compound Name6-bromo-4-(3-bromophenoxy)quinazoline
PubChem CID46879775
Molecular FormulaC14H8Br2N2O
Molecular Weight380.04 g/mol
Exact Mass377.90
IUPAC Name6-bromo-4-(3-bromophenoxy)quinazoline
SMILESBrc1cccc(Oc2ncnc3ccc(Br)cc23)c1
InChIInChI=1S/C14H8Br2N2O/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H
InChIKeyGOZJZNCFQLRTEY-UHFFFAOYSA-N
XLogP4.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.04
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(3-bromophenoxy)quinazoline?
The IUPAC name of 6-bromo-4-(3-bromophenoxy)quinazoline (CID 46879775) is 6-bromo-4-(3-bromophenoxy)quinazoline.
What is the SMILES notation for 6-bromo-4-(3-bromophenoxy)quinazoline?
The canonical SMILES for 6-bromo-4-(3-bromophenoxy)quinazoline is Brc1cccc(Oc2ncnc3ccc(Br)cc23)c1.
What is the InChIKey of 6-bromo-4-(3-bromophenoxy)quinazoline?
The InChIKey is GOZJZNCFQLRTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2N2O/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H.
What are the key properties of 6-bromo-4-(3-bromophenoxy)quinazoline?
6-bromo-4-(3-bromophenoxy)quinazoline has a molecular weight of 380.04 g/mol, XLogP of 4.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(3-bromophenoxy)quinazoline is sourced from PubChem (CID 46879775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).