5-chloro-1-ethylquinazolin-4-one

C10H9ClN2O — CID 171104503

IUPAC5-chloro-1-ethylquinazolin-4-one
SMILESCCn1cnc(=O)c2c(Cl)cccc21
InChIInChI=1S/C10H9ClN2O/c1-2-13-6-12-10(14)9-7(11)4-3-5-8(9)13/h3-6H,2H2,1H3
InChIKeyCXUKTSHATQQLMB-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.07
Rot. Bonds1

About 5-chloro-1-ethylquinazolin-4-one

5-chloro-1-ethylquinazolin-4-one (PubChem CID 171104503) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-chloro-1-ethylquinazolin-4-one.

Molecular Properties

Compound Name5-chloro-1-ethylquinazolin-4-one
PubChem CID171104503
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name5-chloro-1-ethylquinazolin-4-one
SMILESCCn1cnc(=O)c2c(Cl)cccc21
InChIInChI=1S/C10H9ClN2O/c1-2-13-6-12-10(14)9-7(11)4-3-5-8(9)13/h3-6H,2H2,1H3
InChIKeyCXUKTSHATQQLMB-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethylquinazolin-4-one?
The IUPAC name of 5-chloro-1-ethylquinazolin-4-one (CID 171104503) is 5-chloro-1-ethylquinazolin-4-one.
What is the SMILES notation for 5-chloro-1-ethylquinazolin-4-one?
The canonical SMILES for 5-chloro-1-ethylquinazolin-4-one is CCn1cnc(=O)c2c(Cl)cccc21.
What is the InChIKey of 5-chloro-1-ethylquinazolin-4-one?
The InChIKey is CXUKTSHATQQLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-2-13-6-12-10(14)9-7(11)4-3-5-8(9)13/h3-6H,2H2,1H3.
What are the key properties of 5-chloro-1-ethylquinazolin-4-one?
5-chloro-1-ethylquinazolin-4-one has a molecular weight of 208.65 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethylquinazolin-4-one is sourced from PubChem (CID 171104503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).