6-methoxy-4-methylsulfanyl-2-phenylquinazoline

C16H14N2OS — CID 624749

IUPAC6-methoxy-4-methylsulfanyl-2-phenylquinazoline
SMILESCOc1ccc2nc(-c3ccccc3)nc(SC)c2c1
InChIInChI=1S/C16H14N2OS/c1-19-12-8-9-14-13(10-12)16(20-2)18-15(17-14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyPKQOIACIYVLNBW-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.03
Rot. Bonds3

About 6-methoxy-4-methylsulfanyl-2-phenylquinazoline

6-methoxy-4-methylsulfanyl-2-phenylquinazoline (PubChem CID 624749) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 6-methoxy-4-methylsulfanyl-2-phenylquinazoline.

Molecular Properties

Compound Name6-methoxy-4-methylsulfanyl-2-phenylquinazoline
PubChem CID624749
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name6-methoxy-4-methylsulfanyl-2-phenylquinazoline
SMILESCOc1ccc2nc(-c3ccccc3)nc(SC)c2c1
InChIInChI=1S/C16H14N2OS/c1-19-12-8-9-14-13(10-12)16(20-2)18-15(17-14)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyPKQOIACIYVLNBW-UHFFFAOYSA-N
XLogP4.03
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-4-methylsulfanyl-2-phenylquinazoline 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-methoxy-4-methylsulfanyl-2-phenylquinazoline?
The IUPAC name of 6-methoxy-4-methylsulfanyl-2-phenylquinazoline (CID 624749) is 6-methoxy-4-methylsulfanyl-2-phenylquinazoline.
What is the SMILES notation for 6-methoxy-4-methylsulfanyl-2-phenylquinazoline?
The canonical SMILES for 6-methoxy-4-methylsulfanyl-2-phenylquinazoline is COc1ccc2nc(-c3ccccc3)nc(SC)c2c1.
What is the InChIKey of 6-methoxy-4-methylsulfanyl-2-phenylquinazoline?
The InChIKey is PKQOIACIYVLNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-19-12-8-9-14-13(10-12)16(20-2)18-15(17-14)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 6-methoxy-4-methylsulfanyl-2-phenylquinazoline?
6-methoxy-4-methylsulfanyl-2-phenylquinazoline has a molecular weight of 282.37 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methylsulfanyl-2-phenylquinazoline is sourced from PubChem (CID 624749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).