4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline

C16H12Cl2N2S — CID 114590827

IUPAC4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline
SMILESCSc1ccccc1-c1nc(Cl)c2cc(C)cc(Cl)c2n1
InChIInChI=1S/C16H12Cl2N2S/c1-9-7-11-14(12(17)8-9)19-16(20-15(11)18)10-5-3-4-6-13(10)21-2/h3-8H,1-2H3
InChIKeyZYXWZJUOSGKJRQ-UHFFFAOYSA-N
MW335.26 g/mol
LogP5.63
Rot. Bonds2

About 4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline

4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline (PubChem CID 114590827) has the molecular formula C16H12Cl2N2S and a molecular weight of 335.26 g/mol. Its IUPAC name is 4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline.

Molecular Properties

Compound Name4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline
PubChem CID114590827
Molecular FormulaC16H12Cl2N2S
Molecular Weight335.26 g/mol
Exact Mass334.01
IUPAC Name4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline
SMILESCSc1ccccc1-c1nc(Cl)c2cc(C)cc(Cl)c2n1
InChIInChI=1S/C16H12Cl2N2S/c1-9-7-11-14(12(17)8-9)19-16(20-15(11)18)10-5-3-4-6-13(10)21-2/h3-8H,1-2H3
InChIKeyZYXWZJUOSGKJRQ-UHFFFAOYSA-N
XLogP5.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.26
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114590823
4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline
CID 79215695
4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
CID 114590868
4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
CID 114590874
8-bromo-4-chloro-2-(3-chloro-2-fluorophenyl)-6-methylquinazoline
CID 114589644
4-chloro-2-(2-ethylphenyl)-6,8-dimethylquinazoline
CID 114590401
8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114589638
4-chloro-2-(4-fluoro-2-methylphenyl)-6,8-dimethylquinazoline
CID 114590385
4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
CID 114590852
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939
4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870560
6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
CID 63497501

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline?
The IUPAC name of 4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline (CID 114590827) is 4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline.
What is the SMILES notation for 4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline?
The canonical SMILES for 4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline is CSc1ccccc1-c1nc(Cl)c2cc(C)cc(Cl)c2n1.
What is the InChIKey of 4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline?
The InChIKey is ZYXWZJUOSGKJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2S/c1-9-7-11-14(12(17)8-9)19-16(20-15(11)18)10-5-3-4-6-13(10)21-2/h3-8H,1-2H3.
What are the key properties of 4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline?
4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline has a molecular weight of 335.26 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline is sourced from PubChem (CID 114590827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).