6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline

C16H13ClN2S — CID 46934389

IUPAC6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline
SMILESCSc1nc(-c2ccc(C)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H13ClN2S/c1-10-3-5-11(6-4-10)15-18-14-8-7-12(17)9-13(14)16(19-15)20-2/h3-9H,1-2H3
InChIKeyMPXOCRMSDIQQSP-UHFFFAOYSA-N
MW300.81 g/mol
LogP4.98
Rot. Bonds2

About 6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline

6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline (PubChem CID 46934389) has the molecular formula C16H13ClN2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline.

Molecular Properties

Compound Name6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline
PubChem CID46934389
Molecular FormulaC16H13ClN2S
Molecular Weight300.81 g/mol
Exact Mass300.05
IUPAC Name6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline
SMILESCSc1nc(-c2ccc(C)cc2)nc2ccc(Cl)cc12
InChIInChI=1S/C16H13ClN2S/c1-10-3-5-11(6-4-10)15-18-14-8-7-12(17)9-13(14)16(19-15)20-2/h3-9H,1-2H3
InChIKeyMPXOCRMSDIQQSP-UHFFFAOYSA-N
XLogP4.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline?
The IUPAC name of 6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline (CID 46934389) is 6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline.
What is the SMILES notation for 6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline?
The canonical SMILES for 6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline is CSc1nc(-c2ccc(C)cc2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline?
The InChIKey is MPXOCRMSDIQQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2S/c1-10-3-5-11(6-4-10)15-18-14-8-7-12(17)9-13(14)16(19-15)20-2/h3-9H,1-2H3.
What are the key properties of 6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline?
6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline has a molecular weight of 300.81 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methylphenyl)-4-methylsulfanylquinazoline is sourced from PubChem (CID 46934389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).