7-bromo-2-chloroquinazolin-8-ol

C8H4BrClN2O — CID 59199227

IUPAC7-bromo-2-chloroquinazolin-8-ol
SMILESOc1c(Br)ccc2cnc(Cl)nc12
InChIInChI=1S/C8H4BrClN2O/c9-5-2-1-4-3-11-8(10)12-6(4)7(5)13/h1-3,13H
InChIKeyZTFDXWVFVZVZLJ-UHFFFAOYSA-N
MW259.49 g/mol
LogP2.75
Rot. Bonds

About 7-bromo-2-chloroquinazolin-8-ol

7-bromo-2-chloroquinazolin-8-ol (PubChem CID 59199227) has the molecular formula C8H4BrClN2O and a molecular weight of 259.49 g/mol. Its IUPAC name is 7-bromo-2-chloroquinazolin-8-ol.

Molecular Properties

Compound Name7-bromo-2-chloroquinazolin-8-ol
PubChem CID59199227
Molecular FormulaC8H4BrClN2O
Molecular Weight259.49 g/mol
Exact Mass257.92
IUPAC Name7-bromo-2-chloroquinazolin-8-ol
SMILESOc1c(Br)ccc2cnc(Cl)nc12
InChIInChI=1S/C8H4BrClN2O/c9-5-2-1-4-3-11-8(10)12-6(4)7(5)13/h1-3,13H
InChIKeyZTFDXWVFVZVZLJ-UHFFFAOYSA-N
XLogP2.75
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.49
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-chloroquinazolin-8-ol?
The IUPAC name of 7-bromo-2-chloroquinazolin-8-ol (CID 59199227) is 7-bromo-2-chloroquinazolin-8-ol.
What is the SMILES notation for 7-bromo-2-chloroquinazolin-8-ol?
The canonical SMILES for 7-bromo-2-chloroquinazolin-8-ol is Oc1c(Br)ccc2cnc(Cl)nc12.
What is the InChIKey of 7-bromo-2-chloroquinazolin-8-ol?
The InChIKey is ZTFDXWVFVZVZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O/c9-5-2-1-4-3-11-8(10)12-6(4)7(5)13/h1-3,13H.
What are the key properties of 7-bromo-2-chloroquinazolin-8-ol?
7-bromo-2-chloroquinazolin-8-ol has a molecular weight of 259.49 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-chloroquinazolin-8-ol is sourced from PubChem (CID 59199227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).