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

C16H14N2OS2 — CID 1479845

IUPAC4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline
SMILESCOc1cccc(Sc2nc(SC)nc3ccccc23)c1
InChIInChI=1S/C16H14N2OS2/c1-19-11-6-5-7-12(10-11)21-15-13-8-3-4-9-14(13)17-16(18-15)20-2/h3-10H,1-2H3
InChIKeyZUKVLEXFHKAMBL-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.51
Rot. Bonds4

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

4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline (PubChem CID 1479845) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline.

Molecular Properties

Compound Name4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline
PubChem CID1479845
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC Name4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline
SMILESCOc1cccc(Sc2nc(SC)nc3ccccc23)c1
InChIInChI=1S/C16H14N2OS2/c1-19-11-6-5-7-12(10-11)21-15-13-8-3-4-9-14(13)17-16(18-15)20-2/h3-10H,1-2H3
InChIKeyZUKVLEXFHKAMBL-UHFFFAOYSA-N
XLogP4.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline?
The IUPAC name of 4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline (CID 1479845) is 4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline.
What is the SMILES notation for 4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline?
The canonical SMILES for 4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline is COc1cccc(Sc2nc(SC)nc3ccccc23)c1.
What is the InChIKey of 4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline?
The InChIKey is ZUKVLEXFHKAMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-19-11-6-5-7-12(10-11)21-15-13-8-3-4-9-14(13)17-16(18-15)20-2/h3-10H,1-2H3.
What are the key properties of 4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline?
4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline has a molecular weight of 314.44 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)sulfanyl-2-methylsulfanylquinazoline is sourced from PubChem (CID 1479845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).