6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one

C16H12Cl2N2O — CID 127029118

IUPAC6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2cnc3c(Cl)cc(Cl)cc3c2=O)c(C)c1
InChIInChI=1S/C16H12Cl2N2O/c1-9-3-4-14(10(2)5-9)20-8-19-15-12(16(20)21)6-11(17)7-13(15)18/h3-8H,1-2H3
InChIKeySVYVJDXVMUFZSK-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.31
Rot. Bonds1

About 6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one

6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one (PubChem CID 127029118) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one
PubChem CID127029118
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one
SMILESCc1ccc(-n2cnc3c(Cl)cc(Cl)cc3c2=O)c(C)c1
InChIInChI=1S/C16H12Cl2N2O/c1-9-3-4-14(10(2)5-9)20-8-19-15-12(16(20)21)6-11(17)7-13(15)18/h3-8H,1-2H3
InChIKeySVYVJDXVMUFZSK-UHFFFAOYSA-N
XLogP4.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one (CID 127029118) is 6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one is Cc1ccc(-n2cnc3c(Cl)cc(Cl)cc3c2=O)c(C)c1.
What is the InChIKey of 6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one?
The InChIKey is SVYVJDXVMUFZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-9-3-4-14(10(2)5-9)20-8-19-15-12(16(20)21)6-11(17)7-13(15)18/h3-8H,1-2H3.
What are the key properties of 6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one?
6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one has a molecular weight of 319.19 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one is sourced from PubChem (CID 127029118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).