6-chloro-2-ethyl-6H-quinazolin-4-one

C10H9ClN2O — CID 85440027

IUPAC6-chloro-2-ethyl-6H-quinazolin-4-one
SMILESCCC1=NC(=O)C2=CC(Cl)C=CC2=N1
InChIInChI=1S/C10H9ClN2O/c1-2-9-12-8-4-3-6(11)5-7(8)10(14)13-9/h3-6H,2H2,1H3
InChIKeyXATATDGBMYCLOI-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.88
Rot. Bonds1

About 6-chloro-2-ethyl-6H-quinazolin-4-one

6-chloro-2-ethyl-6H-quinazolin-4-one (PubChem CID 85440027) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 6-chloro-2-ethyl-6H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-ethyl-6H-quinazolin-4-one
PubChem CID85440027
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name6-chloro-2-ethyl-6H-quinazolin-4-one
SMILESCCC1=NC(=O)C2=CC(Cl)C=CC2=N1
InChIInChI=1S/C10H9ClN2O/c1-2-9-12-8-4-3-6(11)5-7(8)10(14)13-9/h3-6H,2H2,1H3
InChIKeyXATATDGBMYCLOI-UHFFFAOYSA-N
XLogP1.88
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.88
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

2-chloro-6-fluoro-6H-quinazolin-4-one
CID 71302510
6-chloro-2-(trifluoromethyl)-6H-quinazolin-4-one
CID 73741546
6-fluoro-2-methyl-6H-quinazolin-4-one
CID 75210775
7-chloro-6H-quinazolin-4-one
CID 91371041
6-chloro-6H-quinazolin-4-one
CID 71303944
2,6-dichloro-6H-quinazolin-4-one
CID 72728722
7-Chloro-2-(chloromethyl)-6-methylidenequinazolin-4-one
CID 73102954
2-Chloro-6-methylidenequinazolin-4-one
CID 73185632
6-chloro-2-(hydroxymethyl)-6H-quinazolin-4-one
CID 73326010
6-chloro-2-methyl-6H-pyrido[3,2-d]pyrimidin-4-one
CID 73880073
8-chloro-2-methyl-8H-quinazolin-4-one
CID 74502710
6-chloro-2-methyl-6H-quinazolin-4-one
CID 76844836

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-6H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-ethyl-6H-quinazolin-4-one (CID 85440027) is 6-chloro-2-ethyl-6H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-ethyl-6H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-ethyl-6H-quinazolin-4-one is CCC1=NC(=O)C2=CC(Cl)C=CC2=N1.
What is the InChIKey of 6-chloro-2-ethyl-6H-quinazolin-4-one?
The InChIKey is XATATDGBMYCLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-2-9-12-8-4-3-6(11)5-7(8)10(14)13-9/h3-6H,2H2,1H3.
What are the key properties of 6-chloro-2-ethyl-6H-quinazolin-4-one?
6-chloro-2-ethyl-6H-quinazolin-4-one has a molecular weight of 208.65 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-6H-quinazolin-4-one is sourced from PubChem (CID 85440027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).