3-[3-(benzenesulfonyl)propyl]quinazolin-4-one

C17H16N2O3S — CID 47066485

IUPAC3-[3-(benzenesulfonyl)propyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c20-17-15-9-4-5-10-16(15)18-13-19(17)11-6-12-23(21,22)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2
InChIKeyYCYALKWKEGRYBP-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.26
Rot. Bonds5

About 3-[3-(benzenesulfonyl)propyl]quinazolin-4-one

3-[3-(benzenesulfonyl)propyl]quinazolin-4-one (PubChem CID 47066485) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 3-[3-(benzenesulfonyl)propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[3-(benzenesulfonyl)propyl]quinazolin-4-one
PubChem CID47066485
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name3-[3-(benzenesulfonyl)propyl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N2O3S/c20-17-15-9-4-5-10-16(15)18-13-19(17)11-6-12-23(21,22)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2
InChIKeyYCYALKWKEGRYBP-UHFFFAOYSA-N
XLogP2.26
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-aminobutyl)quinazolin-4-one
CID 28823941
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
3-[2-(2-methylsulfonylethylamino)ethyl]quinazolin-4-one
CID 62562144
3-[3-[ethyl(3-phenylpropyl)amino]propyl]quinazolin-4-one
CID 110186491
3-[3-[2-(4-hydroxyphenyl)ethylamino]propyl]quinazolin-4-one
CID 110185060
N-[(4-fluorophenyl)methyl]-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
CID 17417988
3-[2-(butylamino)ethyl]quinazolin-4-one
CID 62562678
N-(1-adamantyl)-2-(4-oxoquinazolin-3-yl)ethanesulfonamide
CID 17429775
3-[2-(propylamino)ethyl]quinazolin-4-one
CID 54589512
3-[2-(2-hydroxyethoxy)ethyl]quinazolin-4-one
CID 39805269

Frequently Asked Questions

What is the IUPAC name of 3-[3-(benzenesulfonyl)propyl]quinazolin-4-one?
The IUPAC name of 3-[3-(benzenesulfonyl)propyl]quinazolin-4-one (CID 47066485) is 3-[3-(benzenesulfonyl)propyl]quinazolin-4-one.
What is the SMILES notation for 3-[3-(benzenesulfonyl)propyl]quinazolin-4-one?
The canonical SMILES for 3-[3-(benzenesulfonyl)propyl]quinazolin-4-one is O=c1c2ccccc2ncn1CCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[3-(benzenesulfonyl)propyl]quinazolin-4-one?
The InChIKey is YCYALKWKEGRYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-17-15-9-4-5-10-16(15)18-13-19(17)11-6-12-23(21,22)14-7-2-1-3-8-14/h1-5,7-10,13H,6,11-12H2.
What are the key properties of 3-[3-(benzenesulfonyl)propyl]quinazolin-4-one?
3-[3-(benzenesulfonyl)propyl]quinazolin-4-one has a molecular weight of 328.39 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(benzenesulfonyl)propyl]quinazolin-4-one is sourced from PubChem (CID 47066485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).