8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline

C22H25N3O4S — CID 3241187

IUPAC8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cccnc12
InChIInChI=1S/C22H25N3O4S/c1-3-29-20-10-11-21(19-5-4-12-23-22(19)20)30(26,27)25-15-13-24(14-16-25)17-6-8-18(28-2)9-7-17/h4-12H,3,13-16H2,1-2H3
InChIKeyVHFPNBBCTOPTSY-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.15
Rot. Bonds6

About 8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline

8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline (PubChem CID 3241187) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline.

Molecular Properties

Compound Name8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline
PubChem CID3241187
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cccnc12
InChIInChI=1S/C22H25N3O4S/c1-3-29-20-10-11-21(19-5-4-12-23-22(19)20)30(26,27)25-15-13-24(14-16-25)17-6-8-18(28-2)9-7-17/h4-12H,3,13-16H2,1-2H3
InChIKeyVHFPNBBCTOPTSY-UHFFFAOYSA-N
XLogP3.15
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Actinoquinol
CID 23674
N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
CID 1267630
N,N-dibutyl-8-methoxyquinoline-5-sulfonamide
CID 613863
N-butyl-8-methoxyquinoline-5-sulfonamide
CID 626312
Kryptofix 5
CID 93310
4-(Quinolinoxy)-3-pyridinesulfonamide
CID 45028568
4-(2-Methyl-8-quinolinoxy)-3-pyridinesulfonamide
CID 46703923
8-ethoxy-N-(4-fluorobenzyl)quinoline-5-sulfonamide
CID 3241189
N-[4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]butyl]-N-methylethanesulfonamide;dihydrochloride
CID 137633326
Quinolin-8-yl 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 1101768
8-methoxy-N,N-bis(2-methylpropyl)quinoline-5-sulfonamide
CID 1266532
N-1,3-benzodioxol-5-yl-8-ethoxyquinoline-5-sulfonamide
CID 3241933

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The IUPAC name of 8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline (CID 3241187) is 8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline.
What is the SMILES notation for 8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The canonical SMILES for 8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline is CCOc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c2cccnc12.
What is the InChIKey of 8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
The InChIKey is VHFPNBBCTOPTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-3-29-20-10-11-21(19-5-4-12-23-22(19)20)30(26,27)25-15-13-24(14-16-25)17-6-8-18(28-2)9-7-17/h4-12H,3,13-16H2,1-2H3.
What are the key properties of 8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline?
8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline has a molecular weight of 427.53 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylquinoline is sourced from PubChem (CID 3241187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).