3-ethenylquinazolin-4-one;hydrochloride

C10H9ClN2O — CID 52995005

IUPAC3-ethenylquinazolin-4-one;hydrochloride
SMILESC=Cn1cnc2ccccc2c1=O.Cl
InChIInChI=1S/C10H8N2O.ClH/c1-2-12-7-11-9-6-4-3-5-8(9)10(12)13;/h2-7H,1H2;1H
InChIKeyOFLSOAAJYANTBF-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.92
Rot. Bonds1

About 3-ethenylquinazolin-4-one;hydrochloride

3-ethenylquinazolin-4-one;hydrochloride (PubChem CID 52995005) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 3-ethenylquinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name3-ethenylquinazolin-4-one;hydrochloride
PubChem CID52995005
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name3-ethenylquinazolin-4-one;hydrochloride
SMILESC=Cn1cnc2ccccc2c1=O.Cl
InChIInChI=1S/C10H8N2O.ClH/c1-2-12-7-11-9-6-4-3-5-8(9)10(12)13;/h2-7H,1H2;1H
InChIKeyOFLSOAAJYANTBF-UHFFFAOYSA-N
XLogP1.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylquinazolin-4-one;hydrochloride?
The IUPAC name of 3-ethenylquinazolin-4-one;hydrochloride (CID 52995005) is 3-ethenylquinazolin-4-one;hydrochloride.
What is the SMILES notation for 3-ethenylquinazolin-4-one;hydrochloride?
The canonical SMILES for 3-ethenylquinazolin-4-one;hydrochloride is C=Cn1cnc2ccccc2c1=O.Cl.
What is the InChIKey of 3-ethenylquinazolin-4-one;hydrochloride?
The InChIKey is OFLSOAAJYANTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O.ClH/c1-2-12-7-11-9-6-4-3-5-8(9)10(12)13;/h2-7H,1H2;1H.
What are the key properties of 3-ethenylquinazolin-4-one;hydrochloride?
3-ethenylquinazolin-4-one;hydrochloride has a molecular weight of 208.65 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylquinazolin-4-one;hydrochloride is sourced from PubChem (CID 52995005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).