4-[(4-bromophenyl)methoxy]quinazoline

C15H11BrN2O — CID 2368291

IUPAC4-[(4-bromophenyl)methoxy]quinazoline
SMILESBrc1ccc(COc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H11BrN2O/c16-12-7-5-11(6-8-12)9-19-15-13-3-1-2-4-14(13)17-10-18-15/h1-8,10H,9H2
InChIKeyDADJIQURPZZXBT-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.97
Rot. Bonds3

About 4-[(4-bromophenyl)methoxy]quinazoline

4-[(4-bromophenyl)methoxy]quinazoline (PubChem CID 2368291) has the molecular formula C15H11BrN2O and a molecular weight of 315.17 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methoxy]quinazoline.

Molecular Properties

Compound Name4-[(4-bromophenyl)methoxy]quinazoline
PubChem CID2368291
Molecular FormulaC15H11BrN2O
Molecular Weight315.17 g/mol
Exact Mass314.01
IUPAC Name4-[(4-bromophenyl)methoxy]quinazoline
SMILESBrc1ccc(COc2ncnc3ccccc23)cc1
InChIInChI=1S/C15H11BrN2O/c16-12-7-5-11(6-8-12)9-19-15-13-3-1-2-4-14(13)17-10-18-15/h1-8,10H,9H2
InChIKeyDADJIQURPZZXBT-UHFFFAOYSA-N
XLogP3.97
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methoxy]quinazoline?
The IUPAC name of 4-[(4-bromophenyl)methoxy]quinazoline (CID 2368291) is 4-[(4-bromophenyl)methoxy]quinazoline.
What is the SMILES notation for 4-[(4-bromophenyl)methoxy]quinazoline?
The canonical SMILES for 4-[(4-bromophenyl)methoxy]quinazoline is Brc1ccc(COc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methoxy]quinazoline?
The InChIKey is DADJIQURPZZXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O/c16-12-7-5-11(6-8-12)9-19-15-13-3-1-2-4-14(13)17-10-18-15/h1-8,10H,9H2.
What are the key properties of 4-[(4-bromophenyl)methoxy]quinazoline?
4-[(4-bromophenyl)methoxy]quinazoline has a molecular weight of 315.17 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methoxy]quinazoline is sourced from PubChem (CID 2368291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).