6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline

C21H16N2O3S — CID 167754650

IUPAC6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline
SMILESCS(=O)(=O)c1ccc2ncnc(Oc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C21H16N2O3S/c1-27(24,25)18-11-12-20-19(13-18)21(23-14-22-20)26-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyKWUPEUSKDXVDHQ-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.49
Rot. Bonds4

About 6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline

6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline (PubChem CID 167754650) has the molecular formula C21H16N2O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline.

Molecular Properties

Compound Name6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline
PubChem CID167754650
Molecular FormulaC21H16N2O3S
Molecular Weight376.44 g/mol
Exact Mass376.09
IUPAC Name6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline
SMILESCS(=O)(=O)c1ccc2ncnc(Oc3ccc(-c4ccccc4)cc3)c2c1
InChIInChI=1S/C21H16N2O3S/c1-27(24,25)18-11-12-20-19(13-18)21(23-14-22-20)26-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3
InChIKeyKWUPEUSKDXVDHQ-UHFFFAOYSA-N
XLogP4.49
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline?
The IUPAC name of 6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline (CID 167754650) is 6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline.
What is the SMILES notation for 6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline?
The canonical SMILES for 6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline is CS(=O)(=O)c1ccc2ncnc(Oc3ccc(-c4ccccc4)cc3)c2c1.
What is the InChIKey of 6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline?
The InChIKey is KWUPEUSKDXVDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O3S/c1-27(24,25)18-11-12-20-19(13-18)21(23-14-22-20)26-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-14H,1H3.
What are the key properties of 6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline?
6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline has a molecular weight of 376.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-4-(4-phenylphenoxy)quinazoline is sourced from PubChem (CID 167754650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).