2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one

C19H17N3O2S — CID 2456205

IUPAC2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCC1
InChIInChI=1S/C19H17N3O2S/c23-17(21-11-6-12-21)13-25-19-20-16-10-5-4-9-15(16)18(24)22(19)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2
InChIKeyLAFZTFXWEBIHKP-UHFFFAOYSA-N
MW351.43 g/mol
LogP2.71
Rot. Bonds4

About 2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one

2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one (PubChem CID 2456205) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
PubChem CID2456205
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCC1
InChIInChI=1S/C19H17N3O2S/c23-17(21-11-6-12-21)13-25-19-20-16-10-5-4-9-15(16)18(24)22(19)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2
InChIKeyLAFZTFXWEBIHKP-UHFFFAOYSA-N
XLogP2.71
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one?
The IUPAC name of 2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one (CID 2456205) is 2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one is O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCC1.
What is the InChIKey of 2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one?
The InChIKey is LAFZTFXWEBIHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2S/c23-17(21-11-6-12-21)13-25-19-20-16-10-5-4-9-15(16)18(24)22(19)14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2.
What are the key properties of 2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one?
2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one has a molecular weight of 351.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 2456205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).