2,7-dichloro-3,5-dimethylquinazolin-4-one

C10H8Cl2N2O — CID 114693280

IUPAC2,7-dichloro-3,5-dimethylquinazolin-4-one
SMILESCc1cc(Cl)cc2nc(Cl)n(C)c(=O)c12
InChIInChI=1S/C10H8Cl2N2O/c1-5-3-6(11)4-7-8(5)9(15)14(2)10(12)13-7/h3-4H,1-2H3
InChIKeyVIXOPDGEVHDRKH-UHFFFAOYSA-N
MW243.09 g/mol
LogP2.55
Rot. Bonds

About 2,7-dichloro-3,5-dimethylquinazolin-4-one

2,7-dichloro-3,5-dimethylquinazolin-4-one (PubChem CID 114693280) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is 2,7-dichloro-3,5-dimethylquinazolin-4-one.

Molecular Properties

Compound Name2,7-dichloro-3,5-dimethylquinazolin-4-one
PubChem CID114693280
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name2,7-dichloro-3,5-dimethylquinazolin-4-one
SMILESCc1cc(Cl)cc2nc(Cl)n(C)c(=O)c12
InChIInChI=1S/C10H8Cl2N2O/c1-5-3-6(11)4-7-8(5)9(15)14(2)10(12)13-7/h3-4H,1-2H3
InChIKeyVIXOPDGEVHDRKH-UHFFFAOYSA-N
XLogP2.55
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-3,5-dimethylquinazolin-4-one?
The IUPAC name of 2,7-dichloro-3,5-dimethylquinazolin-4-one (CID 114693280) is 2,7-dichloro-3,5-dimethylquinazolin-4-one.
What is the SMILES notation for 2,7-dichloro-3,5-dimethylquinazolin-4-one?
The canonical SMILES for 2,7-dichloro-3,5-dimethylquinazolin-4-one is Cc1cc(Cl)cc2nc(Cl)n(C)c(=O)c12.
What is the InChIKey of 2,7-dichloro-3,5-dimethylquinazolin-4-one?
The InChIKey is VIXOPDGEVHDRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c1-5-3-6(11)4-7-8(5)9(15)14(2)10(12)13-7/h3-4H,1-2H3.
What are the key properties of 2,7-dichloro-3,5-dimethylquinazolin-4-one?
2,7-dichloro-3,5-dimethylquinazolin-4-one has a molecular weight of 243.09 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-3,5-dimethylquinazolin-4-one is sourced from PubChem (CID 114693280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).