8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline

C20H21N3O3S — CID 1299513

IUPAC8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C20H21N3O3S/c1-26-18-9-7-17(8-10-18)22-12-14-23(15-13-22)27(24,25)19-6-2-4-16-5-3-11-21-20(16)19/h2-11H,12-15H2,1H3
InChIKeyGGMVCJBLDURXMQ-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.75
Rot. Bonds4

About 8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline

8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline (PubChem CID 1299513) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline
PubChem CID1299513
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline
SMILESCOc1ccc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1
InChIInChI=1S/C20H21N3O3S/c1-26-18-9-7-17(8-10-18)22-12-14-23(15-13-22)27(24,25)19-6-2-4-16-5-3-11-21-20(16)19/h2-11H,12-15H2,1H3
InChIKeyGGMVCJBLDURXMQ-UHFFFAOYSA-N
XLogP2.75
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline (CID 1299513) is 8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline is COc1ccc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1.
What is the InChIKey of 8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The InChIKey is GGMVCJBLDURXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-26-18-9-7-17(8-10-18)22-12-14-23(15-13-22)27(24,25)19-6-2-4-16-5-3-11-21-20(16)19/h2-11H,12-15H2,1H3.
What are the key properties of 8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline has a molecular weight of 383.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 1299513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).