4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline

C16H14N2O2S — CID 1479836

IUPAC4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline
SMILESCOc1ccc(Oc2nc(SC)nc3ccccc23)cc1
InChIInChI=1S/C16H14N2O2S/c1-19-11-7-9-12(10-8-11)20-15-13-5-3-4-6-14(13)17-16(18-15)21-2/h3-10H,1-2H3
InChIKeyKJXSVDPEQQZMBQ-UHFFFAOYSA-N
MW298.37 g/mol
LogP4.15
Rot. Bonds4

About 4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline

4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline (PubChem CID 1479836) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline
PubChem CID1479836
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline
SMILESCOc1ccc(Oc2nc(SC)nc3ccccc23)cc1
InChIInChI=1S/C16H14N2O2S/c1-19-11-7-9-12(10-8-11)20-15-13-5-3-4-6-14(13)17-16(18-15)21-2/h3-10H,1-2H3
InChIKeyKJXSVDPEQQZMBQ-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline?
The IUPAC name of 4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline (CID 1479836) is 4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline.
What is the SMILES notation for 4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline?
The canonical SMILES for 4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline is COc1ccc(Oc2nc(SC)nc3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline?
The InChIKey is KJXSVDPEQQZMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-19-11-7-9-12(10-8-11)20-15-13-5-3-4-6-14(13)17-16(18-15)21-2/h3-10H,1-2H3.
What are the key properties of 4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline?
4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline has a molecular weight of 298.37 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)-2-methylsulfanylquinazoline is sourced from PubChem (CID 1479836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).