6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one

C23H33N5O4S — CID 4118718

IUPAC6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one
SMILESCCCN1CCN(C(=O)Cn2cnc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)CC1
InChIInChI=1S/C23H33N5O4S/c1-3-8-25-11-13-26(14-12-25)22(29)16-27-17-24-21-5-4-19(15-20(21)23(27)30)33(31,32)28-9-6-18(2)7-10-28/h4-5,15,17-18H,3,6-14,16H2,1-2H3
InChIKeyRLERPUOOCLTOEC-UHFFFAOYSA-N
MW475.62 g/mol
LogP1.37
Rot. Bonds6

About 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one

6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one (PubChem CID 4118718) has the molecular formula C23H33N5O4S and a molecular weight of 475.62 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one
PubChem CID4118718
Molecular FormulaC23H33N5O4S
Molecular Weight475.62 g/mol
Exact Mass475.23
IUPAC Name6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one
SMILESCCCN1CCN(C(=O)Cn2cnc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)CC1
InChIInChI=1S/C23H33N5O4S/c1-3-8-25-11-13-26(14-12-25)22(29)16-27-17-24-21-5-4-19(15-20(21)23(27)30)33(31,32)28-9-6-18(2)7-10-28/h4-5,15,17-18H,3,6-14,16H2,1-2H3
InChIKeyRLERPUOOCLTOEC-UHFFFAOYSA-N
XLogP1.37
TPSA95.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]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

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one?
The IUPAC name of 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one (CID 4118718) is 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one is CCCN1CCN(C(=O)Cn2cnc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3c2=O)CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one?
The InChIKey is RLERPUOOCLTOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4S/c1-3-8-25-11-13-26(14-12-25)22(29)16-27-17-24-21-5-4-19(15-20(21)23(27)30)33(31,32)28-9-6-18(2)7-10-28/h4-5,15,17-18H,3,6-14,16H2,1-2H3.
What are the key properties of 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one?
6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one has a molecular weight of 475.62 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)sulfonyl-3-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 4118718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).