2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one

C24H30N4O4S — CID 42714673

IUPAC2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1C)N1CCN(S(=O)(=O)c2ccc(OC)cc2)C(C)C1
InChIInChI=1S/C24H30N4O4S/c1-5-22(23-25-21-9-7-6-8-20(21)24(29)26(23)3)27-14-15-28(17(2)16-27)33(30,31)19-12-10-18(32-4)11-13-19/h6-13,17,22H,5,14-16H2,1-4H3
InChIKeyOFTYCXOHUQRPBI-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.79
Rot. Bonds6

About 2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one

2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one (PubChem CID 42714673) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one
PubChem CID42714673
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC Name2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one
SMILESCCC(c1nc2ccccc2c(=O)n1C)N1CCN(S(=O)(=O)c2ccc(OC)cc2)C(C)C1
InChIInChI=1S/C24H30N4O4S/c1-5-22(23-25-21-9-7-6-8-20(21)24(29)26(23)3)27-14-15-28(17(2)16-27)33(30,31)19-12-10-18(32-4)11-13-19/h6-13,17,22H,5,14-16H2,1-4H3
InChIKeyOFTYCXOHUQRPBI-UHFFFAOYSA-N
XLogP2.79
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one with MolForge

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Related Compounds

2-[1-[4-[2-(4-chlorophenoxy)acetyl]-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one
CID 42714662
3-methyl-2-[1-[3-methyl-4-(thiophene-2-carbonyl)piperazin-1-yl]propyl]quinazolin-4-one
CID 42714658
2-[1-[4-(4-bromophenyl)sulfonyl-3-methylpiperazin-1-yl]ethyl]-3-ethylquinazolin-4-one
CID 42714519
3-methyl-2-[1-[3-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 42657430
2-[1-(4-benzoyl-3-methylpiperazin-1-yl)propyl]-3-(2-methoxyethyl)quinazolin-4-one
CID 42714630
6-chloro-3-methyl-2-[1-[3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-one
CID 59701129
7-chloro-2-[1-[4-(4-fluorophenyl)sulfonyl-3-methylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 42714925
N-tert-butyl-4-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-2-methylpiperazine-1-carboxamide
CID 42714703
4-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-N-phenylpiperazine-1-carboxamide
CID 42714842
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-N-(2-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 42714950
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
N-(3-methoxyphenyl)-2-methyl-4-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]piperazine-1-carboxamide
CID 42714681

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one (CID 42714673) is 2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one is CCC(c1nc2ccccc2c(=O)n1C)N1CCN(S(=O)(=O)c2ccc(OC)cc2)C(C)C1.
What is the InChIKey of 2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one?
The InChIKey is OFTYCXOHUQRPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-5-22(23-25-21-9-7-6-8-20(21)24(29)26(23)3)27-14-15-28(17(2)16-27)33(30,31)19-12-10-18(32-4)11-13-19/h6-13,17,22H,5,14-16H2,1-4H3.
What are the key properties of 2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one?
2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one has a molecular weight of 470.60 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-methoxyphenyl)sulfonyl-3-methylpiperazin-1-yl]propyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 42714673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).