2-(3-methoxyphenyl)-4-methylsulfanylquinazoline

C16H14N2OS — CID 127049804

IUPAC2-(3-methoxyphenyl)-4-methylsulfanylquinazoline
SMILESCOc1cccc(-c2nc(SC)c3ccccc3n2)c1
InChIInChI=1S/C16H14N2OS/c1-19-12-7-5-6-11(10-12)15-17-14-9-4-3-8-13(14)16(18-15)20-2/h3-10H,1-2H3
InChIKeySAUVUKJMFHBLNQ-UHFFFAOYSA-N
MW282.37 g/mol
LogP4.03
Rot. Bonds3

About 2-(3-methoxyphenyl)-4-methylsulfanylquinazoline

2-(3-methoxyphenyl)-4-methylsulfanylquinazoline (PubChem CID 127049804) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-methylsulfanylquinazoline.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-methylsulfanylquinazoline
PubChem CID127049804
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name2-(3-methoxyphenyl)-4-methylsulfanylquinazoline
SMILESCOc1cccc(-c2nc(SC)c3ccccc3n2)c1
InChIInChI=1S/C16H14N2OS/c1-19-12-7-5-6-11(10-12)15-17-14-9-4-3-8-13(14)16(18-15)20-2/h3-10H,1-2H3
InChIKeySAUVUKJMFHBLNQ-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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-methylsulfanylquinazoline?
The IUPAC name of 2-(3-methoxyphenyl)-4-methylsulfanylquinazoline (CID 127049804) is 2-(3-methoxyphenyl)-4-methylsulfanylquinazoline.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-methylsulfanylquinazoline?
The canonical SMILES for 2-(3-methoxyphenyl)-4-methylsulfanylquinazoline is COc1cccc(-c2nc(SC)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-methylsulfanylquinazoline?
The InChIKey is SAUVUKJMFHBLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-19-12-7-5-6-11(10-12)15-17-14-9-4-3-8-13(14)16(18-15)20-2/h3-10H,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-4-methylsulfanylquinazoline?
2-(3-methoxyphenyl)-4-methylsulfanylquinazoline 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 2-(3-methoxyphenyl)-4-methylsulfanylquinazoline is sourced from PubChem (CID 127049804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).