6,8-dichloro-8H-quinazolin-4-one

C8H4Cl2N2O — CID 76844818

IUPAC6,8-dichloro-8H-quinazolin-4-one
SMILESO=C1N=CN=C2C1=CC(Cl)=CC2Cl
InChIInChI=1S/C8H4Cl2N2O/c9-4-1-5-7(6(10)2-4)11-3-12-8(5)13/h1-3,6H
InChIKeyPKWOSNDVUWFXPH-UHFFFAOYSA-N
MW215.04 g/mol
LogP1.67
Rot. Bonds

About 6,8-dichloro-8H-quinazolin-4-one

6,8-dichloro-8H-quinazolin-4-one (PubChem CID 76844818) has the molecular formula C8H4Cl2N2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 6,8-dichloro-8H-quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-8H-quinazolin-4-one
PubChem CID76844818
Molecular FormulaC8H4Cl2N2O
Molecular Weight215.04 g/mol
Exact Mass213.97
IUPAC Name6,8-dichloro-8H-quinazolin-4-one
SMILESO=C1N=CN=C2C1=CC(Cl)=CC2Cl
InChIInChI=1S/C8H4Cl2N2O/c9-4-1-5-7(6(10)2-4)11-3-12-8(5)13/h1-3,6H
InChIKeyPKWOSNDVUWFXPH-UHFFFAOYSA-N
XLogP1.67
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-8H-quinazolin-4-one
CID 90734363
6-chloro-8H-quinazolin-4-one
CID 91196558
7-chloro-6H-quinazolin-4-one
CID 91371041
6-chloro-6H-quinazolin-4-one
CID 71303944
8-Methylidenequinazolin-4-one
CID 71304104
2,6-dichloro-6H-quinazolin-4-one
CID 72728722
7-Chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one
CID 73102954
8-chloro-2-methyl-8H-quinazolin-4-one
CID 74502710
2-(Chloromethyl)-8-methylidenequinazolin-4-one
CID 78371905
8-chloro-8H-quinazolin-4-one
CID 85287723
2-Chloro-8-methylidenequinazolin-4-one
CID 85483837
6,8-dichloro-2-methyl-8H-quinazolin-4-one
CID 85789253

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-8H-quinazolin-4-one?
The IUPAC name of 6,8-dichloro-8H-quinazolin-4-one (CID 76844818) is 6,8-dichloro-8H-quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-8H-quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-8H-quinazolin-4-one is O=C1N=CN=C2C1=CC(Cl)=CC2Cl.
What is the InChIKey of 6,8-dichloro-8H-quinazolin-4-one?
The InChIKey is PKWOSNDVUWFXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O/c9-4-1-5-7(6(10)2-4)11-3-12-8(5)13/h1-3,6H.
What are the key properties of 6,8-dichloro-8H-quinazolin-4-one?
6,8-dichloro-8H-quinazolin-4-one has a molecular weight of 215.04 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-8H-quinazolin-4-one is sourced from PubChem (CID 76844818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).