N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide

C22H25N3O6S — CID 3239829

IUPACN-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2c1=O
InChIInChI=1S/C22H25N3O6S/c1-3-31-11-5-10-23-22(27)19-14-24-20-9-8-17(13-18(20)21(19)26)32(28,29)25-15-6-4-7-16(12-15)30-2/h4,6-9,12-14,25H,3,5,10-11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyALFPDSDPOIMKOF-UHFFFAOYSA-N
MW459.52 g/mol
LogP2.49
Rot. Bonds10

About N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide

N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 3239829) has the molecular formula C22H25N3O6S and a molecular weight of 459.52 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID3239829
Molecular FormulaC22H25N3O6S
Molecular Weight459.52 g/mol
Exact Mass459.15
IUPAC NameN-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2c1=O
InChIInChI=1S/C22H25N3O6S/c1-3-31-11-5-10-23-22(27)19-14-24-20-9-8-17(13-18(20)21(19)26)32(28,29)25-15-6-4-7-16(12-15)30-2/h4,6-9,12-14,25H,3,5,10-11H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyALFPDSDPOIMKOF-UHFFFAOYSA-N
XLogP2.49
TPSA126.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide (CID 3239829) is N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is CCOCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2c1=O.
What is the InChIKey of N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ALFPDSDPOIMKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O6S/c1-3-31-11-5-10-23-22(27)19-14-24-20-9-8-17(13-18(20)21(19)26)32(28,29)25-15-6-4-7-16(12-15)30-2/h4,6-9,12-14,25H,3,5,10-11H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide?
N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 459.52 g/mol, XLogP of 2.49, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-[(3-methoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3239829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).