2-(4-phenylmethoxyphenyl)sulfanylquinazoline

C21H16N2OS — CID 67700068

IUPAC2-(4-phenylmethoxyphenyl)sulfanylquinazoline
SMILESc1ccc(COc2ccc(Sc3ncc4ccccc4n3)cc2)cc1
InChIInChI=1S/C21H16N2OS/c1-2-6-16(7-3-1)15-24-18-10-12-19(13-11-18)25-21-22-14-17-8-4-5-9-20(17)23-21/h1-14H,15H2
InChIKeyZOBPYFMFOIKDEB-UHFFFAOYSA-N
MW344.44 g/mol
LogP5.36
Rot. Bonds5

About 2-(4-phenylmethoxyphenyl)sulfanylquinazoline

2-(4-phenylmethoxyphenyl)sulfanylquinazoline (PubChem CID 67700068) has the molecular formula C21H16N2OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)sulfanylquinazoline.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)sulfanylquinazoline
PubChem CID67700068
Molecular FormulaC21H16N2OS
Molecular Weight344.44 g/mol
Exact Mass344.10
IUPAC Name2-(4-phenylmethoxyphenyl)sulfanylquinazoline
SMILESc1ccc(COc2ccc(Sc3ncc4ccccc4n3)cc2)cc1
InChIInChI=1S/C21H16N2OS/c1-2-6-16(7-3-1)15-24-18-10-12-19(13-11-18)25-21-22-14-17-8-4-5-9-20(17)23-21/h1-14H,15H2
InChIKeyZOBPYFMFOIKDEB-UHFFFAOYSA-N
XLogP5.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.44
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)sulfanylquinazoline?
The IUPAC name of 2-(4-phenylmethoxyphenyl)sulfanylquinazoline (CID 67700068) is 2-(4-phenylmethoxyphenyl)sulfanylquinazoline.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)sulfanylquinazoline?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)sulfanylquinazoline is c1ccc(COc2ccc(Sc3ncc4ccccc4n3)cc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)sulfanylquinazoline?
The InChIKey is ZOBPYFMFOIKDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2OS/c1-2-6-16(7-3-1)15-24-18-10-12-19(13-11-18)25-21-22-14-17-8-4-5-9-20(17)23-21/h1-14H,15H2.
What are the key properties of 2-(4-phenylmethoxyphenyl)sulfanylquinazoline?
2-(4-phenylmethoxyphenyl)sulfanylquinazoline has a molecular weight of 344.44 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)sulfanylquinazoline is sourced from PubChem (CID 67700068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).