7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one

C20H20ClN3O4S — CID 53113812

IUPAC7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(Cl)ccc4c3=O)CC2)cc1
InChIInChI=1S/C20H20ClN3O4S/c1-28-16-3-5-17(6-4-16)29(26,27)23-10-8-15(9-11-23)24-13-22-19-12-14(21)2-7-18(19)20(24)25/h2-7,12-13,15H,8-11H2,1H3
InChIKeyAMXFCDDVGIRPIA-UHFFFAOYSA-N
MW433.92 g/mol
LogP3.08
Rot. Bonds4

About 7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one

7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one (PubChem CID 53113812) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is 7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
PubChem CID53113812
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC Name7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(Cl)ccc4c3=O)CC2)cc1
InChIInChI=1S/C20H20ClN3O4S/c1-28-16-3-5-17(6-4-16)29(26,27)23-10-8-15(9-11-23)24-13-22-19-12-14(21)2-7-18(19)20(24)25/h2-7,12-13,15H,8-11H2,1H3
InChIKeyAMXFCDDVGIRPIA-UHFFFAOYSA-N
XLogP3.08
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-7-fluoroquinazolin-4-one
CID 53113858
6-chloro-3-[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113802
3-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methylquinazolin-4-one
CID 53113939
7-fluoro-3-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113862
6-chloro-3-(1-ethylsulfonylpiperidin-4-yl)quinazolin-4-one
CID 53113790
4-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 50828339
6-chloro-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one
CID 11270528
8-chloro-3-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113887
6-[bis(4-chlorophenyl)methyl]-2-cyclopropyl-1-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 126616429
5-fluoro-1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 1462299
3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113784
3-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113768

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one (CID 53113812) is 7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one is COc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(Cl)ccc4c3=O)CC2)cc1.
What is the InChIKey of 7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one?
The InChIKey is AMXFCDDVGIRPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c1-28-16-3-5-17(6-4-16)29(26,27)23-10-8-15(9-11-23)24-13-22-19-12-14(21)2-7-18(19)20(24)25/h2-7,12-13,15H,8-11H2,1H3.
What are the key properties of 7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one?
7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one has a molecular weight of 433.92 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one is sourced from PubChem (CID 53113812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).