2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide

C22H26N4O3S — CID 22576547

IUPAC2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCCN3CCN(c4ccccc4)CC3)ccc2[nH]1
InChIInChI=1S/C22H26N4O3S/c27-22-10-7-18-17-20(8-9-21(18)24-22)30(28,29)23-11-4-12-25-13-15-26(16-14-25)19-5-2-1-3-6-19/h1-3,5-10,17,23H,4,11-16H2,(H,24,27)
InChIKeyRUZMAMIARHZEJJ-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.02
Rot. Bonds7

About 2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide

2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide (PubChem CID 22576547) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide
PubChem CID22576547
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCCN3CCN(c4ccccc4)CC3)ccc2[nH]1
InChIInChI=1S/C22H26N4O3S/c27-22-10-7-18-17-20(8-9-21(18)24-22)30(28,29)23-11-4-12-25-13-15-26(16-14-25)19-5-2-1-3-6-19/h1-3,5-10,17,23H,4,11-16H2,(H,24,27)
InChIKeyRUZMAMIARHZEJJ-UHFFFAOYSA-N
XLogP2.02
TPSA85.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(azepan-1-yl)propyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 22548591
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-2-sulfonamide
CID 42389457
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 46361480
4-N-[3-(4-phenylpiperazin-1-yl)propyl]benzene-1,4-disulfonamide
CID 55641989
3-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42389147
N-[3-(4-phenylpiperazin-1-yl)propyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42389145
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-2-oxo-1H-quinoline-6-sulfonamide
CID 46275029
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide
CID 45106786
3,4-difluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42428630
2-oxo-N-(3-propan-2-yloxypropyl)-1H-quinoline-6-sulfonamide
CID 22548573
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylbenzenesulfonamide
CID 42389477
4-fluoro-3-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267445

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide?
The IUPAC name of 2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide (CID 22576547) is 2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide?
The canonical SMILES for 2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)NCCCN3CCN(c4ccccc4)CC3)ccc2[nH]1.
What is the InChIKey of 2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide?
The InChIKey is RUZMAMIARHZEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c27-22-10-7-18-17-20(8-9-21(18)24-22)30(28,29)23-11-4-12-25-13-15-26(16-14-25)19-5-2-1-3-6-19/h1-3,5-10,17,23H,4,11-16H2,(H,24,27).
What are the key properties of 2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide?
2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide has a molecular weight of 426.54 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 22576547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).