4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline

C16H12Cl2N2S — CID 114589554

IUPAC4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline
SMILESCSc1ccc(-c2nc(Cl)c3ccc(Cl)c(C)c3n2)cc1
InChIInChI=1S/C16H12Cl2N2S/c1-9-13(17)8-7-12-14(9)19-16(20-15(12)18)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3
InChIKeyJKZDTDCKOOWWIB-UHFFFAOYSA-N
MW335.26 g/mol
LogP5.63
Rot. Bonds2

About 4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline

4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline (PubChem CID 114589554) has the molecular formula C16H12Cl2N2S and a molecular weight of 335.26 g/mol. Its IUPAC name is 4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline.

Molecular Properties

Compound Name4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline
PubChem CID114589554
Molecular FormulaC16H12Cl2N2S
Molecular Weight335.26 g/mol
Exact Mass334.01
IUPAC Name4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline
SMILESCSc1ccc(-c2nc(Cl)c3ccc(Cl)c(C)c3n2)cc1
InChIInChI=1S/C16H12Cl2N2S/c1-9-13(17)8-7-12-14(9)19-16(20-15(12)18)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3
InChIKeyJKZDTDCKOOWWIB-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

4,7-dichloro-2-(4-ethylphenyl)-8-methylquinazoline
CID 114589548
4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline
CID 114589521
4-chloro-7-fluoro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591446
4,7-dichloro-2-(2-fluoro-4-methylphenyl)-8-methylquinazoline
CID 114589505
7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591533
6-bromo-4-chloro-2-(4-methylsulfanylphenyl)quinazoline
CID 79215585
4-chloro-7-fluoro-8-methyl-2-(3-methylphenyl)quinazoline
CID 114591452
5-bromo-4-chloro-2-(4-methylsulfanylphenyl)-6-propan-2-ylpyrimidine
CID 66312655
2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline
CID 114591476
4,6-dichloro-5-methyl-2-[4-(trifluoromethylsulfanyl)phenyl]pyrimidine
CID 63612998
4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine
CID 80550164
4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 63496972

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline?
The IUPAC name of 4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline (CID 114589554) is 4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline.
What is the SMILES notation for 4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline?
The canonical SMILES for 4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline is CSc1ccc(-c2nc(Cl)c3ccc(Cl)c(C)c3n2)cc1.
What is the InChIKey of 4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline?
The InChIKey is JKZDTDCKOOWWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2S/c1-9-13(17)8-7-12-14(9)19-16(20-15(12)18)10-3-5-11(21-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline?
4,7-dichloro-8-methyl-2-(4-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 4,7-dichloro-8-methyl-2-(4-methylsulfanylphenyl)quinazoline is sourced from PubChem (CID 114589554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).