7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one

C22H24FN3O3S — CID 53113862

IUPAC7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
SMILESCCCc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc4c3=O)CC2)cc1
InChIInChI=1S/C22H24FN3O3S/c1-2-3-16-4-7-19(8-5-16)30(28,29)25-12-10-18(11-13-25)26-15-24-21-14-17(23)6-9-20(21)22(26)27/h4-9,14-15,18H,2-3,10-13H2,1H3
InChIKeyJRELEMILVHDJFO-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.51
Rot. Bonds5

About 7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one

7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one (PubChem CID 53113862) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is 7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one.

Molecular Properties

Compound Name7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
PubChem CID53113862
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC Name7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
SMILESCCCc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc4c3=O)CC2)cc1
InChIInChI=1S/C22H24FN3O3S/c1-2-3-16-4-7-19(8-5-16)30(28,29)25-12-10-18(11-13-25)26-15-24-21-14-17(23)6-9-20(21)22(26)27/h4-9,14-15,18H,2-3,10-13H2,1H3
InChIKeyJRELEMILVHDJFO-UHFFFAOYSA-N
XLogP3.51
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-3-[1-(4-propylphenyl)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-(4-chlorophenyl)sulfonylpiperidin-4-yl]-7-fluoroquinazolin-4-one
CID 53113858
5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 1462299
7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113812
7-fluoro-3-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]quinazolin-4-one
CID 146079251
1-[(3-fluorophenyl)methyl]-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]piperazine-2,3-dione
CID 53004248
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841
6-chloro-3-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113802
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-6-propyl-4H-3,1-benzoxazin-2-one
CID 70947256
3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113784
6-chloro-3-(1-ethylsulfonylpiperidin-4-yl)quinazolin-4-one
CID 53113790
(2-chloro-4-fluorophenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765367
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113768

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one?
The IUPAC name of 7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one (CID 53113862) is 7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one.
What is the SMILES notation for 7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one?
The canonical SMILES for 7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one is CCCc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(F)ccc4c3=O)CC2)cc1.
What is the InChIKey of 7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one?
The InChIKey is JRELEMILVHDJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-2-3-16-4-7-19(8-5-16)30(28,29)25-12-10-18(11-13-25)26-15-24-21-14-17(23)6-9-20(21)22(26)27/h4-9,14-15,18H,2-3,10-13H2,1H3.
What are the key properties of 7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one?
7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one has a molecular weight of 429.52 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one is sourced from PubChem (CID 53113862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).