2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide

C18H18N2O3S — CID 22548541

IUPAC2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C18H18N2O3S/c21-18-11-8-15-13-16(9-10-17(15)20-18)24(22,23)19-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,19H,4,7,12H2,(H,20,21)
InChIKeyBCJQKNXORXQCER-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.44
Rot. Bonds6

About 2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide

2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide (PubChem CID 22548541) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide
PubChem CID22548541
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide
SMILESO=c1ccc2cc(S(=O)(=O)NCCCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C18H18N2O3S/c21-18-11-8-15-13-16(9-10-17(15)20-18)24(22,23)19-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,19H,4,7,12H2,(H,20,21)
InChIKeyBCJQKNXORXQCER-UHFFFAOYSA-N
XLogP2.44
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide?
The IUPAC name of 2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide (CID 22548541) is 2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide is O=c1ccc2cc(S(=O)(=O)NCCCc3ccccc3)ccc2[nH]1.
What is the InChIKey of 2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide?
The InChIKey is BCJQKNXORXQCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c21-18-11-8-15-13-16(9-10-17(15)20-18)24(22,23)19-12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,19H,4,7,12H2,(H,20,21).
What are the key properties of 2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide?
2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-phenylpropyl)-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 22548541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).