6-chloroquinazoline

C8H5ClN2 — CID 596352

IUPAC6-chloroquinazoline
SMILESClc1ccc2ncncc2c1
InChIInChI=1S/C8H5ClN2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H
InChIKeyAPZOSGVUMBJPDB-UHFFFAOYSA-N
MW164.59 g/mol
LogP2.28
Rot. Bonds

About 6-chloroquinazoline

6-chloroquinazoline (PubChem CID 596352) has the molecular formula C8H5ClN2 and a molecular weight of 164.59 g/mol. Its IUPAC name is 6-chloroquinazoline.

Molecular Properties

Compound Name6-chloroquinazoline
PubChem CID596352
Molecular FormulaC8H5ClN2
Molecular Weight164.59 g/mol
Exact Mass164.01
IUPAC Name6-chloroquinazoline
SMILESClc1ccc2ncncc2c1
InChIInChI=1S/C8H5ClN2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H
InChIKeyAPZOSGVUMBJPDB-UHFFFAOYSA-N
XLogP2.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.59
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloroquinazoline?
The IUPAC name of 6-chloroquinazoline (CID 596352) is 6-chloroquinazoline.
What is the SMILES notation for 6-chloroquinazoline?
The canonical SMILES for 6-chloroquinazoline is Clc1ccc2ncncc2c1.
What is the InChIKey of 6-chloroquinazoline?
The InChIKey is APZOSGVUMBJPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H.
What are the key properties of 6-chloroquinazoline?
6-chloroquinazoline has a molecular weight of 164.59 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloroquinazoline is sourced from PubChem (CID 596352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).