2-benzylsulfanyl-6-methoxy-4-methylquinazoline

C17H16N2OS — CID 897291

IUPAC2-benzylsulfanyl-6-methoxy-4-methylquinazoline
SMILESCOc1ccc2nc(SCc3ccccc3)nc(C)c2c1
InChIInChI=1S/C17H16N2OS/c1-12-15-10-14(20-2)8-9-16(15)19-17(18-12)21-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyLVBNIVRKMJLXHU-UHFFFAOYSA-N
MW296.39 g/mol
LogP4.24
Rot. Bonds4

About 2-benzylsulfanyl-6-methoxy-4-methylquinazoline

2-benzylsulfanyl-6-methoxy-4-methylquinazoline (PubChem CID 897291) has the molecular formula C17H16N2OS and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-benzylsulfanyl-6-methoxy-4-methylquinazoline.

Molecular Properties

Compound Name2-benzylsulfanyl-6-methoxy-4-methylquinazoline
PubChem CID897291
Molecular FormulaC17H16N2OS
Molecular Weight296.39 g/mol
Exact Mass296.10
IUPAC Name2-benzylsulfanyl-6-methoxy-4-methylquinazoline
SMILESCOc1ccc2nc(SCc3ccccc3)nc(C)c2c1
InChIInChI=1S/C17H16N2OS/c1-12-15-10-14(20-2)8-9-16(15)19-17(18-12)21-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyLVBNIVRKMJLXHU-UHFFFAOYSA-N
XLogP4.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzylsulfanyl-6-methoxy-4-methylquinazoline 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 2-benzylsulfanyl-6-methoxy-4-methylquinazoline?
The IUPAC name of 2-benzylsulfanyl-6-methoxy-4-methylquinazoline (CID 897291) is 2-benzylsulfanyl-6-methoxy-4-methylquinazoline.
What is the SMILES notation for 2-benzylsulfanyl-6-methoxy-4-methylquinazoline?
The canonical SMILES for 2-benzylsulfanyl-6-methoxy-4-methylquinazoline is COc1ccc2nc(SCc3ccccc3)nc(C)c2c1.
What is the InChIKey of 2-benzylsulfanyl-6-methoxy-4-methylquinazoline?
The InChIKey is LVBNIVRKMJLXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-15-10-14(20-2)8-9-16(15)19-17(18-12)21-11-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 2-benzylsulfanyl-6-methoxy-4-methylquinazoline?
2-benzylsulfanyl-6-methoxy-4-methylquinazoline has a molecular weight of 296.39 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-6-methoxy-4-methylquinazoline is sourced from PubChem (CID 897291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).