8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide

C20H29N3O3S — CID 126478575

IUPAC8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)c2cccnc12
InChIInChI=1S/C20H29N3O3S/c1-3-26-18-7-8-19(17-6-4-11-21-20(17)18)27(24,25)22-12-5-13-23-14-9-16(2)10-15-23/h4,6-8,11,16,22H,3,5,9-10,12-15H2,1-2H3
InChIKeyFDCNFSXSOLPGAW-UHFFFAOYSA-N
MW391.54 g/mol
LogP3.03
Rot. Bonds8

About 8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide

8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide (PubChem CID 126478575) has the molecular formula C20H29N3O3S and a molecular weight of 391.54 g/mol. Its IUPAC name is 8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide
PubChem CID126478575
Molecular FormulaC20H29N3O3S
Molecular Weight391.54 g/mol
Exact Mass391.19
IUPAC Name8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)c2cccnc12
InChIInChI=1S/C20H29N3O3S/c1-3-26-18-7-8-19(17-6-4-11-21-20(17)18)27(24,25)22-12-5-13-23-14-9-16(2)10-15-23/h4,6-8,11,16,22H,3,5,9-10,12-15H2,1-2H3
InChIKeyFDCNFSXSOLPGAW-UHFFFAOYSA-N
XLogP3.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide?
The IUPAC name of 8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide (CID 126478575) is 8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide.
What is the SMILES notation for 8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide?
The canonical SMILES for 8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide is CCOc1ccc(S(=O)(=O)NCCCN2CCC(C)CC2)c2cccnc12.
What is the InChIKey of 8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide?
The InChIKey is FDCNFSXSOLPGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3S/c1-3-26-18-7-8-19(17-6-4-11-21-20(17)18)27(24,25)22-12-5-13-23-14-9-16(2)10-15-23/h4,6-8,11,16,22H,3,5,9-10,12-15H2,1-2H3.
What are the key properties of 8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide?
8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide has a molecular weight of 391.54 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-N-[3-(4-methylpiperidin-1-yl)propyl]quinoline-5-sulfonamide is sourced from PubChem (CID 126478575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).