8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline

C22H25N3O5S — CID 3758703

IUPAC8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline
SMILESCOc1cc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc(OC)c1OC
InChIInChI=1S/C22H25N3O5S/c1-28-18-14-17(15-19(29-2)22(18)30-3)24-10-12-25(13-11-24)31(26,27)20-8-4-6-16-7-5-9-23-21(16)20/h4-9,14-15H,10-13H2,1-3H3
InChIKeyWLTFTWIANKVGTR-UHFFFAOYSA-N
MW443.53 g/mol
LogP2.77
Rot. Bonds6

About 8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline

8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline (PubChem CID 3758703) has the molecular formula C22H25N3O5S and a molecular weight of 443.53 g/mol. Its IUPAC name is 8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline
PubChem CID3758703
Molecular FormulaC22H25N3O5S
Molecular Weight443.53 g/mol
Exact Mass443.15
IUPAC Name8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline
SMILESCOc1cc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc(OC)c1OC
InChIInChI=1S/C22H25N3O5S/c1-28-18-14-17(15-19(29-2)22(18)30-3)24-10-12-25(13-11-24)31(26,27)20-8-4-6-16-7-5-9-23-21(16)20/h4-9,14-15H,10-13H2,1-3H3
InChIKeyWLTFTWIANKVGTR-UHFFFAOYSA-N
XLogP2.77
TPSA81.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-piperidin-1-ylsulfonylquinoline
CID 768759
1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 5309619
N,N,6-trimethyl-2-(4-quinolin-8-ylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 122332735
8-[4-[6-(4,5-dimethylimidazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]sulfonylquinoline
CID 122345055
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5309633
8-(4-methyl-4-phenylpiperidin-1-yl)sulfonylquinoline
CID 18338372
8-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonylquinoline
CID 122279795
5-(3,4-dimethoxyphenyl)-4,4-dimethyl-2-(1-quinolin-8-ylsulfonylpiperidin-4-yl)pyrazol-3-one
CID 46202064
N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5308867
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
1-(5-bromothiophen-2-yl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazine
CID 3366921

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline (CID 3758703) is 8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline is COc1cc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc(OC)c1OC.
What is the InChIKey of 8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The InChIKey is WLTFTWIANKVGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5S/c1-28-18-14-17(15-19(29-2)22(18)30-3)24-10-12-25(13-11-24)31(26,27)20-8-4-6-16-7-5-9-23-21(16)20/h4-9,14-15H,10-13H2,1-3H3.
What are the key properties of 8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline?
8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline has a molecular weight of 443.53 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 3758703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).