3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one

C20H15N3O2S — CID 3088195

IUPAC3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(S(=O)Cc2ccccn2)n1-c1ccccc1
InChIInChI=1S/C20H15N3O2S/c24-19-17-11-4-5-12-18(17)22-20(23(19)16-9-2-1-3-10-16)26(25)14-15-8-6-7-13-21-15/h1-13H,14H2
InChIKeyRQODJPLBSBDZLJ-UHFFFAOYSA-N
MW361.43 g/mol
LogP3.09
Rot. Bonds4

About 3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one

3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one (PubChem CID 3088195) has the molecular formula C20H15N3O2S and a molecular weight of 361.43 g/mol. Its IUPAC name is 3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one.

Molecular Properties

Compound Name3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one
PubChem CID3088195
Molecular FormulaC20H15N3O2S
Molecular Weight361.43 g/mol
Exact Mass361.09
IUPAC Name3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(S(=O)Cc2ccccn2)n1-c1ccccc1
InChIInChI=1S/C20H15N3O2S/c24-19-17-11-4-5-12-18(17)22-20(23(19)16-9-2-1-3-10-16)26(25)14-15-8-6-7-13-21-15/h1-13H,14H2
InChIKeyRQODJPLBSBDZLJ-UHFFFAOYSA-N
XLogP3.09
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.43
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-3-phenylquinazolin-4-one
CID 719985
2-ethoxy-3-phenylquinazolin-4-one
CID 71404213
2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 14575169
4-phenyl-1,2-bis(pyridin-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
CID 1089007
3-[4-(4-oxo-2-propylquinazolin-3-yl)phenyl]-2-propylquinazolin-4-one
CID 12631795
2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 42739971
[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]methylazanium chloride
CID 23004805
4-hydroxy-3-[C-methyl-N-(pyridin-2-ylmethyl)carbonimidoyl]-1-phenylquinolin-2-one
CID 135449771
3-[(2R)-1-pyridin-2-ylpropan-2-yl]quinazolin-4-one
CID 39826477
3-phenyl-2-(pyridin-1-ium-1-ylmethyl)quinazolin-4-one
CID 739394
ethane;2-ethyl-3-(4-methylphenyl)quinazolin-4-one
CID 90844218
pyridin-2-ylmethanesulfinate
CID 57191587

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one?
The IUPAC name of 3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one (CID 3088195) is 3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one.
What is the SMILES notation for 3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one?
The canonical SMILES for 3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one is O=c1c2ccccc2nc(S(=O)Cc2ccccn2)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one?
The InChIKey is RQODJPLBSBDZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S/c24-19-17-11-4-5-12-18(17)22-20(23(19)16-9-2-1-3-10-16)26(25)14-15-8-6-7-13-21-15/h1-13H,14H2.
What are the key properties of 3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one?
3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one has a molecular weight of 361.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(pyridin-2-ylmethylsulfinyl)quinazolin-4-one is sourced from PubChem (CID 3088195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).