5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one

C22H25ClN4O4S — CID 59993378

IUPAC5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)c3nc4cccc(Cl)c4c(=O)n3C)CC2)cc1
InChIInChI=1S/C22H25ClN4O4S/c1-15(21-24-19-6-4-5-18(23)20(19)22(28)25(21)2)26-11-13-27(14-12-26)32(29,30)17-9-7-16(31-3)8-10-17/h4-10,15H,11-14H2,1-3H3
InChIKeyFCSJVCSTINCNRR-UHFFFAOYSA-N
MW476.99 g/mol
LogP2.66
Rot. Bonds5

About 5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one

5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one (PubChem CID 59993378) has the molecular formula C22H25ClN4O4S and a molecular weight of 476.99 g/mol. Its IUPAC name is 5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one
PubChem CID59993378
Molecular FormulaC22H25ClN4O4S
Molecular Weight476.99 g/mol
Exact Mass476.13
IUPAC Name5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)c3nc4cccc(Cl)c4c(=O)n3C)CC2)cc1
InChIInChI=1S/C22H25ClN4O4S/c1-15(21-24-19-6-4-5-18(23)20(19)22(28)25(21)2)26-11-13-27(14-12-26)32(29,30)17-9-7-16(31-3)8-10-17/h4-10,15H,11-14H2,1-3H3
InChIKeyFCSJVCSTINCNRR-UHFFFAOYSA-N
XLogP2.66
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.99
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[4-(4-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]ethyl]-3-methylquinazolin-4-one
CID 59993367
1-(difluoromethyl)-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]benzimidazole
CID 42926494
2-[1-[4-(4-ethenylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 59993243
2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-1,3-benzothiazole
CID 46823413
2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3H-quinazolin-4-one
CID 135846055
2-[1-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-6-bromo-3-methylquinazolin-4-one
CID 59993412
2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-pyrrolidin-1-ylquinazoline
CID 59993146
1-[bis(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 6737163
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
[1-[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]piperidin-4-yl]methanol
CID 59993435
3-(2-methoxyphenyl)-2-[1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 42722370
2-[1-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]ethyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 42722371

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
The IUPAC name of 5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one (CID 59993378) is 5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
The canonical SMILES for 5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one is COc1ccc(S(=O)(=O)N2CCN(C(C)c3nc4cccc(Cl)c4c(=O)n3C)CC2)cc1.
What is the InChIKey of 5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
The InChIKey is FCSJVCSTINCNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O4S/c1-15(21-24-19-6-4-5-18(23)20(19)22(28)25(21)2)26-11-13-27(14-12-26)32(29,30)17-9-7-16(31-3)8-10-17/h4-10,15H,11-14H2,1-3H3.
What are the key properties of 5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one?
5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one has a molecular weight of 476.99 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 59993378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).