8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one

C16H12Cl2N2O — CID 164610439

IUPAC8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one
SMILESCc1cc(-c2ccc(Cl)cc2Cl)c2ncn(C)c(=O)c2c1
InChIInChI=1S/C16H12Cl2N2O/c1-9-5-12(11-4-3-10(17)7-14(11)18)15-13(6-9)16(21)20(2)8-19-15/h3-8H,1-2H3
InChIKeyRSKHPANXURRXHS-UHFFFAOYSA-N
MW319.19 g/mol
LogP4.22
Rot. Bonds1

About 8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one

8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one (PubChem CID 164610439) has the molecular formula C16H12Cl2N2O and a molecular weight of 319.19 g/mol. Its IUPAC name is 8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one
PubChem CID164610439
Molecular FormulaC16H12Cl2N2O
Molecular Weight319.19 g/mol
Exact Mass318.03
IUPAC Name8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one
SMILESCc1cc(-c2ccc(Cl)cc2Cl)c2ncn(C)c(=O)c2c1
InChIInChI=1S/C16H12Cl2N2O/c1-9-5-12(11-4-3-10(17)7-14(11)18)15-13(6-9)16(21)20(2)8-19-15/h3-8H,1-2H3
InChIKeyRSKHPANXURRXHS-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-[[4-chloro-2-(3,6-dimethyl-4-oxoquinazolin-8-yl)-1,3-benzothiazol-6-yl]oxy]ethyl]benzenesulfonamide
CID 164621177
N-[2-[[4-chloro-2-(3,6-dimethyl-4-oxoquinazolin-8-yl)-1,3-benzothiazol-6-yl]oxy]ethyl]benzenesulfonamide
CID 164616976
3,8-dimethyl-5H-pyrimido[5,4-b]indol-4-one
CID 3106031
propan-2-yl 2-(2,4-dichlorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648340
7-(2,4-dichlorophenyl)-3-ethynyl-2-methylindazole
CID 59702308
6,8-dichloro-3-(2,4-dimethylphenyl)quinazolin-4-one
CID 127029118
3-(2,4-dichlorophenyl)-1-ethyl-6-methylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 3334961
7-(2,4-dichlorophenyl)-12-methyl-1,5-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-7,9(16),10(15),11,13-pentaen-6-one
CID 67388269
2,4-dichloro-N-(1,5,6-trimethylbenzimidazol-4-yl)benzenesulfonamide
CID 1474204
2-(2,4-dichlorophenyl)-4-methylphenol
CID 83130752
8-bromo-3-(5-chloro-2-methylsulfanylanilino)-6-methylquinazolin-4-one
CID 118042790
8-(2,4-dichlorophenyl)-2-methyl-4-[(2R)-3-methylbutan-2-yl]pyrido[2,3-b]pyrazin-3-one
CID 10384880

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one (CID 164610439) is 8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one is Cc1cc(-c2ccc(Cl)cc2Cl)c2ncn(C)c(=O)c2c1.
What is the InChIKey of 8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one?
The InChIKey is RSKHPANXURRXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O/c1-9-5-12(11-4-3-10(17)7-14(11)18)15-13(6-9)16(21)20(2)8-19-15/h3-8H,1-2H3.
What are the key properties of 8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one?
8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one has a molecular weight of 319.19 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dichlorophenyl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 164610439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).