6,7-dimethoxy-4-phenylsulfanylquinazoline

C16H14N2O2S — CID 141248835

IUPAC6,7-dimethoxy-4-phenylsulfanylquinazoline
SMILESCOc1cc2ncnc(Sc3ccccc3)c2cc1OC
InChIInChI=1S/C16H14N2O2S/c1-19-14-8-12-13(9-15(14)20-2)17-10-18-16(12)21-11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyPALFFZKNSCVLEC-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.80
Rot. Bonds4

About 6,7-dimethoxy-4-phenylsulfanylquinazoline

6,7-dimethoxy-4-phenylsulfanylquinazoline (PubChem CID 141248835) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 6,7-dimethoxy-4-phenylsulfanylquinazoline.

Molecular Properties

Compound Name6,7-dimethoxy-4-phenylsulfanylquinazoline
PubChem CID141248835
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name6,7-dimethoxy-4-phenylsulfanylquinazoline
SMILESCOc1cc2ncnc(Sc3ccccc3)c2cc1OC
InChIInChI=1S/C16H14N2O2S/c1-19-14-8-12-13(9-15(14)20-2)17-10-18-16(12)21-11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyPALFFZKNSCVLEC-UHFFFAOYSA-N
XLogP3.80
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethoxy-4-phenylsulfanylquinazoline 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 6,7-dimethoxy-4-phenylsulfanylquinazoline?
The IUPAC name of 6,7-dimethoxy-4-phenylsulfanylquinazoline (CID 141248835) is 6,7-dimethoxy-4-phenylsulfanylquinazoline.
What is the SMILES notation for 6,7-dimethoxy-4-phenylsulfanylquinazoline?
The canonical SMILES for 6,7-dimethoxy-4-phenylsulfanylquinazoline is COc1cc2ncnc(Sc3ccccc3)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-phenylsulfanylquinazoline?
The InChIKey is PALFFZKNSCVLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-19-14-8-12-13(9-15(14)20-2)17-10-18-16(12)21-11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 6,7-dimethoxy-4-phenylsulfanylquinazoline?
6,7-dimethoxy-4-phenylsulfanylquinazoline has a molecular weight of 298.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-phenylsulfanylquinazoline is sourced from PubChem (CID 141248835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).