2,6-dichloro-3-ethylquinazolin-4-one

C10H8Cl2N2O — CID 114692904

IUPAC2,6-dichloro-3-ethylquinazolin-4-one
SMILESCCn1c(Cl)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C10H8Cl2N2O/c1-2-14-9(15)7-5-6(11)3-4-8(7)13-10(14)12/h3-5H,2H2,1H3
InChIKeyUMBBWOJBYNVALP-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.72
Rot. Bonds1

About 2,6-dichloro-3-ethylquinazolin-4-one

2,6-dichloro-3-ethylquinazolin-4-one (PubChem CID 114692904) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2,6-dichloro-3-ethylquinazolin-4-one.

Molecular Properties

Compound Name2,6-dichloro-3-ethylquinazolin-4-one
PubChem CID114692904
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name2,6-dichloro-3-ethylquinazolin-4-one
SMILESCCn1c(Cl)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C10H8Cl2N2O/c1-2-14-9(15)7-5-6(11)3-4-8(7)13-10(14)12/h3-5H,2H2,1H3
InChIKeyUMBBWOJBYNVALP-UHFFFAOYSA-N
XLogP2.72
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-ethylquinazolin-4-one?
The IUPAC name of 2,6-dichloro-3-ethylquinazolin-4-one (CID 114692904) is 2,6-dichloro-3-ethylquinazolin-4-one.
What is the SMILES notation for 2,6-dichloro-3-ethylquinazolin-4-one?
The canonical SMILES for 2,6-dichloro-3-ethylquinazolin-4-one is CCn1c(Cl)nc2ccc(Cl)cc2c1=O.
What is the InChIKey of 2,6-dichloro-3-ethylquinazolin-4-one?
The InChIKey is UMBBWOJBYNVALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-2-14-9(15)7-5-6(11)3-4-8(7)13-10(14)12/h3-5H,2H2,1H3.
What are the key properties of 2,6-dichloro-3-ethylquinazolin-4-one?
2,6-dichloro-3-ethylquinazolin-4-one has a molecular weight of 243.09 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-ethylquinazolin-4-one is sourced from PubChem (CID 114692904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).