2,6-dichloro-6H-quinazolin-4-one

C8H4Cl2N2O — CID 72728722

IUPAC2,6-dichloro-6H-quinazolin-4-one
SMILESO=C1N=C(Cl)N=C2C=CC(Cl)C=C12
InChIInChI=1S/C8H4Cl2N2O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-4H
InChIKeyGYUWWNAEJSVYIX-UHFFFAOYSA-N
MW215.04 g/mol
LogP1.67
Rot. Bonds

About 2,6-dichloro-6H-quinazolin-4-one

2,6-dichloro-6H-quinazolin-4-one (PubChem CID 72728722) has the molecular formula C8H4Cl2N2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 2,6-dichloro-6H-quinazolin-4-one.

Molecular Properties

Compound Name2,6-dichloro-6H-quinazolin-4-one
PubChem CID72728722
Molecular FormulaC8H4Cl2N2O
Molecular Weight215.04 g/mol
Exact Mass213.97
IUPAC Name2,6-dichloro-6H-quinazolin-4-one
SMILESO=C1N=C(Cl)N=C2C=CC(Cl)C=C12
InChIInChI=1S/C8H4Cl2N2O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-4H
InChIKeyGYUWWNAEJSVYIX-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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
6-chloro-2-(trifluoromethyl)-6H-quinazolin-4-one
CID 73741546
7-chloro-6H-quinazolin-4-one
CID 91371041
6H-quinazolin-4-one
CID 165178648
6-chloro-6H-quinazolin-4-one
CID 71303944
7-Chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one
CID 73102954
2-Chloro-6-methylidenequinazolin-4-one
CID 73185632
6-bromo-2-chloro-6H-quinazolin-4-one
CID 73300429
6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one
CID 73326010
8-chloro-2-methyl-8H-quinazolin-4-one
CID 74502710
6,8-dichloro-8H-quinazolin-4-one
CID 76844818
6-chloro-2-methyl-6H-quinazolin-4-one
CID 76844836

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-6H-quinazolin-4-one?
The IUPAC name of 2,6-dichloro-6H-quinazolin-4-one (CID 72728722) is 2,6-dichloro-6H-quinazolin-4-one.
What is the SMILES notation for 2,6-dichloro-6H-quinazolin-4-one?
The canonical SMILES for 2,6-dichloro-6H-quinazolin-4-one is O=C1N=C(Cl)N=C2C=CC(Cl)C=C12.
What is the InChIKey of 2,6-dichloro-6H-quinazolin-4-one?
The InChIKey is GYUWWNAEJSVYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-4H.
What are the key properties of 2,6-dichloro-6H-quinazolin-4-one?
2,6-dichloro-6H-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 2,6-dichloro-6H-quinazolin-4-one is sourced from PubChem (CID 72728722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).