4-chloroquinazolin-6-ol

C8H5ClN2O — CID 23160273

IUPAC4-chloroquinazolin-6-ol
SMILESOc1ccc2ncnc(Cl)c2c1
InChIInChI=1S/C8H5ClN2O/c9-8-6-3-5(12)1-2-7(6)10-4-11-8/h1-4,12H
InChIKeyDOFQCJUTUJSCOP-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.99
Rot. Bonds

About 4-chloroquinazolin-6-ol

4-chloroquinazolin-6-ol (PubChem CID 23160273) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 4-chloroquinazolin-6-ol.

Molecular Properties

Compound Name4-chloroquinazolin-6-ol
PubChem CID23160273
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name4-chloroquinazolin-6-ol
SMILESOc1ccc2ncnc(Cl)c2c1
InChIInChI=1S/C8H5ClN2O/c9-8-6-3-5(12)1-2-7(6)10-4-11-8/h1-4,12H
InChIKeyDOFQCJUTUJSCOP-UHFFFAOYSA-N
XLogP1.99
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloroquinazolin-6-ol?
The IUPAC name of 4-chloroquinazolin-6-ol (CID 23160273) is 4-chloroquinazolin-6-ol.
What is the SMILES notation for 4-chloroquinazolin-6-ol?
The canonical SMILES for 4-chloroquinazolin-6-ol is Oc1ccc2ncnc(Cl)c2c1.
What is the InChIKey of 4-chloroquinazolin-6-ol?
The InChIKey is DOFQCJUTUJSCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-8-6-3-5(12)1-2-7(6)10-4-11-8/h1-4,12H.
What are the key properties of 4-chloroquinazolin-6-ol?
4-chloroquinazolin-6-ol has a molecular weight of 180.59 g/mol, XLogP of 1.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloroquinazolin-6-ol is sourced from PubChem (CID 23160273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).