3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one

C20H21N3O3S — CID 53113784

IUPAC3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
SMILESCc1ccccc1S(=O)(=O)N1CCC(n2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H21N3O3S/c1-15-6-2-5-9-19(15)27(25,26)22-12-10-16(11-13-22)23-14-21-18-8-4-3-7-17(18)20(23)24/h2-9,14,16H,10-13H2,1H3
InChIKeyUGVZFWTUVNNBTC-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.73
Rot. Bonds3

About 3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one

3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one (PubChem CID 53113784) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
PubChem CID53113784
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
SMILESCc1ccccc1S(=O)(=O)N1CCC(n2cnc3ccccc3c2=O)CC1
InChIInChI=1S/C20H21N3O3S/c1-15-6-2-5-9-19(15)27(25,26)22-12-10-16(11-13-22)23-14-21-18-8-4-3-7-17(18)20(23)24/h2-9,14,16H,10-13H2,1H3
InChIKeyUGVZFWTUVNNBTC-UHFFFAOYSA-N
XLogP2.73
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113768
3-(1-benzylsulfonylpiperidin-4-yl)quinazolin-4-one
CID 53010931
3-cyclobutylquinazolin-4-one
CID 171781936
3-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]-8-methylquinazolin-4-one
CID 53113917
6-chloro-3-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113802
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methylquinazolin-4-one
CID 53113939
3-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]pyrido[2,3-d]pyrimidin-4-one
CID 119104587
N-[4-methyl-2-[3-(4-oxoquinazolin-3-yl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 121193506
3-[1-(4-methylpyrimidine-5-carbonyl)piperidin-4-yl]quinazolin-4-one
CID 138009536
6-chloro-3-(1-ethylsulfonylpiperidin-4-yl)quinazolin-4-one
CID 53113790
4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one?
The IUPAC name of 3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one (CID 53113784) is 3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one.
What is the SMILES notation for 3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one?
The canonical SMILES for 3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one is Cc1ccccc1S(=O)(=O)N1CCC(n2cnc3ccccc3c2=O)CC1.
What is the InChIKey of 3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one?
The InChIKey is UGVZFWTUVNNBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-15-6-2-5-9-19(15)27(25,26)22-12-10-16(11-13-22)23-14-21-18-8-4-3-7-17(18)20(23)24/h2-9,14,16H,10-13H2,1H3.
What are the key properties of 3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one?
3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one has a molecular weight of 383.47 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one is sourced from PubChem (CID 53113784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).