2,5-dichloro-3-ethyl-8-methylquinazolin-4-one

C11H10Cl2N2O — CID 114693017

IUPAC2,5-dichloro-3-ethyl-8-methylquinazolin-4-one
SMILESCCn1c(Cl)nc2c(C)ccc(Cl)c2c1=O
InChIInChI=1S/C11H10Cl2N2O/c1-3-15-10(16)8-7(12)5-4-6(2)9(8)14-11(15)13/h4-5H,3H2,1-2H3
InChIKeyLPBQOTLSCVCGRJ-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.03
Rot. Bonds1

About 2,5-dichloro-3-ethyl-8-methylquinazolin-4-one

2,5-dichloro-3-ethyl-8-methylquinazolin-4-one (PubChem CID 114693017) has the molecular formula C11H10Cl2N2O and a molecular weight of 257.12 g/mol. Its IUPAC name is 2,5-dichloro-3-ethyl-8-methylquinazolin-4-one.

Molecular Properties

Compound Name2,5-dichloro-3-ethyl-8-methylquinazolin-4-one
PubChem CID114693017
Molecular FormulaC11H10Cl2N2O
Molecular Weight257.12 g/mol
Exact Mass256.02
IUPAC Name2,5-dichloro-3-ethyl-8-methylquinazolin-4-one
SMILESCCn1c(Cl)nc2c(C)ccc(Cl)c2c1=O
InChIInChI=1S/C11H10Cl2N2O/c1-3-15-10(16)8-7(12)5-4-6(2)9(8)14-11(15)13/h4-5H,3H2,1-2H3
InChIKeyLPBQOTLSCVCGRJ-UHFFFAOYSA-N
XLogP3.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-ethyl-8-methylquinazolin-4-one?
The IUPAC name of 2,5-dichloro-3-ethyl-8-methylquinazolin-4-one (CID 114693017) is 2,5-dichloro-3-ethyl-8-methylquinazolin-4-one.
What is the SMILES notation for 2,5-dichloro-3-ethyl-8-methylquinazolin-4-one?
The canonical SMILES for 2,5-dichloro-3-ethyl-8-methylquinazolin-4-one is CCn1c(Cl)nc2c(C)ccc(Cl)c2c1=O.
What is the InChIKey of 2,5-dichloro-3-ethyl-8-methylquinazolin-4-one?
The InChIKey is LPBQOTLSCVCGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O/c1-3-15-10(16)8-7(12)5-4-6(2)9(8)14-11(15)13/h4-5H,3H2,1-2H3.
What are the key properties of 2,5-dichloro-3-ethyl-8-methylquinazolin-4-one?
2,5-dichloro-3-ethyl-8-methylquinazolin-4-one has a molecular weight of 257.12 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-ethyl-8-methylquinazolin-4-one is sourced from PubChem (CID 114693017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).