4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

C15H21N3O2S — CID 7185499

IUPAC4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)N1CCCCC1
InChIInChI=1S/C15H21N3O2S/c19-13(18-8-4-1-5-9-18)10-21-14-11-6-2-3-7-12(11)16-15(20)17-14/h1-10H2,(H,16,17,20)
InChIKeyYIFTXFLFHAROCR-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.75
Rot. Bonds3

About 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one

4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (PubChem CID 7185499) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
PubChem CID7185499
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
SMILESO=C(CSc1nc(=O)[nH]c2c1CCCC2)N1CCCCC1
InChIInChI=1S/C15H21N3O2S/c19-13(18-8-4-1-5-9-18)10-21-14-11-6-2-3-7-12(11)16-15(20)17-14/h1-10H2,(H,16,17,20)
InChIKeyYIFTXFLFHAROCR-UHFFFAOYSA-N
XLogP1.75
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The IUPAC name of 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one (CID 7185499) is 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The canonical SMILES for 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is O=C(CSc1nc(=O)[nH]c2c1CCCC2)N1CCCCC1.
What is the InChIKey of 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
The InChIKey is YIFTXFLFHAROCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c19-13(18-8-4-1-5-9-18)10-21-14-11-6-2-3-7-12(11)16-15(20)17-14/h1-10H2,(H,16,17,20).
What are the key properties of 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one?
4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one has a molecular weight of 307.42 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one is sourced from PubChem (CID 7185499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).