N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide

C21H22FN3O5S — CID 24540685

IUPACN-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCOCCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12
InChIInChI=1S/C21H22FN3O5S/c1-2-30-11-3-10-23-21(27)18-13-20(26)24-19-9-8-16(12-17(18)19)31(28,29)25-15-6-4-14(22)5-7-15/h4-9,12-13,25H,2-3,10-11H2,1H3,(H,23,27)(H,24,26)
InChIKeyBIBDMEBDNYOLOP-UHFFFAOYSA-N
MW447.49 g/mol
LogP2.62
Rot. Bonds9

About N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide

N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 24540685) has the molecular formula C21H22FN3O5S and a molecular weight of 447.49 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID24540685
Molecular FormulaC21H22FN3O5S
Molecular Weight447.49 g/mol
Exact Mass447.13
IUPAC NameN-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCCOCCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12
InChIInChI=1S/C21H22FN3O5S/c1-2-30-11-3-10-23-21(27)18-13-20(26)24-19-9-8-16(12-17(18)19)31(28,29)25-15-6-4-14(22)5-7-15/h4-9,12-13,25H,2-3,10-11H2,1H3,(H,23,27)(H,24,26)
InChIKeyBIBDMEBDNYOLOP-UHFFFAOYSA-N
XLogP2.62
TPSA117.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 52.62
H-Bond Donors ≤ 53
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-ethoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 17477773
6-[(4-fluorophenyl)sulfamoyl]-2-oxo-N-(3-phenylprop-2-ynyl)-1H-quinoline-4-carboxamide
CID 55510277
N-(3-butoxypropyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27683058
4-(azepane-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 24539720
6-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxypropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 20854286
4-chloro-N-(3-ethoxypropyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 24540699
4-(3,5-dimethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 42908649
methyl 6-[[5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoyl]amino]hexanoate
CID 43004196
N-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethyl]-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide
CID 155967753
6-(azepan-1-ylsulfonyl)-N-(2-methoxyethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 15996678
6-(diethylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 41365118
N-(2-aminoethyl)-6-(diethylsulfamoyl)-2-oxo-1H-quinoline-4-carboxamide;hydrochloride
CID 119384301

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide (CID 24540685) is N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide is CCOCCCNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc12.
What is the InChIKey of N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is BIBDMEBDNYOLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O5S/c1-2-30-11-3-10-23-21(27)18-13-20(26)24-19-9-8-16(12-17(18)19)31(28,29)25-15-6-4-14(22)5-7-15/h4-9,12-13,25H,2-3,10-11H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide?
N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 2.62, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 24540685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).