2-chloro-8-methylidenequinazolin-4-one

C9H5ClN2O — CID 85483837

IUPAC2-chloro-8-methylidenequinazolin-4-one
SMILESC=c1cccc2c1=NC(Cl)=NC2=O
InChIInChI=1S/C9H5ClN2O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H2
InChIKeyCJNZCJSREIOGQZ-UHFFFAOYSA-N
MW192.60 g/mol
LogP0.47
Rot. Bonds

About 2-chloro-8-methylidenequinazolin-4-one

2-chloro-8-methylidenequinazolin-4-one (PubChem CID 85483837) has the molecular formula C9H5ClN2O and a molecular weight of 192.60 g/mol. Its IUPAC name is 2-chloro-8-methylidenequinazolin-4-one.

Molecular Properties

Compound Name2-chloro-8-methylidenequinazolin-4-one
PubChem CID85483837
Molecular FormulaC9H5ClN2O
Molecular Weight192.60 g/mol
Exact Mass192.01
IUPAC Name2-chloro-8-methylidenequinazolin-4-one
SMILESC=c1cccc2c1=NC(Cl)=NC2=O
InChIInChI=1S/C9H5ClN2O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H2
InChIKeyCJNZCJSREIOGQZ-UHFFFAOYSA-N
XLogP0.47
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-8H-quinazolin-4-one
CID 90734363
2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
5,8-difluoro-2-methyl-8H-quinazolin-4-one
CID 73414900
8-fluoro-8H-quinazolin-4-one
CID 76845720
Quinazoline-4,8-dione
CID 67262045
2,9-Diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,4,6,8,11,13,15-heptaene-3,10-dione
CID 85436629
6-chloro-8H-quinazolin-4-one
CID 91196558
6-iodo-8H-quinazolin-4-one
CID 91423193
6-bromo-8H-quinazolin-4-one
CID 91607100
8,8-Dibromoquinazolin-4-one
CID 174762623
8-Methylidenequinazolin-4-one
CID 71304104
2-Amino-6-iodo-8-methylidenequinazolin-4-one
CID 72756568

Frequently Asked Questions

What is the IUPAC name of 2-chloro-8-methylidenequinazolin-4-one?
The IUPAC name of 2-chloro-8-methylidenequinazolin-4-one (CID 85483837) is 2-chloro-8-methylidenequinazolin-4-one.
What is the SMILES notation for 2-chloro-8-methylidenequinazolin-4-one?
The canonical SMILES for 2-chloro-8-methylidenequinazolin-4-one is C=c1cccc2c1=NC(Cl)=NC2=O.
What is the InChIKey of 2-chloro-8-methylidenequinazolin-4-one?
The InChIKey is CJNZCJSREIOGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN2O/c1-5-3-2-4-6-7(5)11-9(10)12-8(6)13/h2-4H,1H2.
What are the key properties of 2-chloro-8-methylidenequinazolin-4-one?
2-chloro-8-methylidenequinazolin-4-one has a molecular weight of 192.60 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methylidenequinazolin-4-one is sourced from PubChem (CID 85483837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).