N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

C19H21FN2O5S — CID 55730968

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(OC)c(C(C)NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1
InChIInChI=1S/C19H21FN2O5S/c1-11(14-9-13(26-2)5-6-17(14)27-3)22-28(24,25)18-8-12-4-7-19(23)21-16(12)10-15(18)20/h5-6,8-11,22H,4,7H2,1-3H3,(H,21,23)
InChIKeyLOVZWNOCICJJHE-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.77
Rot. Bonds6

About N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (PubChem CID 55730968) has the molecular formula C19H21FN2O5S and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
PubChem CID55730968
Molecular FormulaC19H21FN2O5S
Molecular Weight408.45 g/mol
Exact Mass408.12
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
SMILESCOc1ccc(OC)c(C(C)NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1
InChIInChI=1S/C19H21FN2O5S/c1-11(14-9-13(26-2)5-6-17(14)27-3)22-28(24,25)18-8-12-4-7-19(23)21-16(12)10-15(18)20/h5-6,8-11,22H,4,7H2,1-3H3,(H,21,23)
InChIKeyLOVZWNOCICJJHE-UHFFFAOYSA-N
XLogP2.77
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 52524073
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]methanesulfonamide
CID 51389866
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22206259
4-tert-butyl-N-[1-(2,5-dimethoxyphenyl)ethyl]-2,6-dimethylbenzenesulfonamide
CID 24671593
5-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 9190490
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methylsulfonylbenzenesulfonamide
CID 133219385
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133178714
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
CID 47213624
2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]pent-4-enoic acid
CID 154744217
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thiophene-2-sulfonamide
CID 7028776
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-ethoxybenzenesulfonamide
CID 22206237
1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 26545548

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide (CID 55730968) is N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is COc1ccc(OC)c(C(C)NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
The InChIKey is LOVZWNOCICJJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O5S/c1-11(14-9-13(26-2)5-6-17(14)27-3)22-28(24,25)18-8-12-4-7-19(23)21-16(12)10-15(18)20/h5-6,8-11,22H,4,7H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide has a molecular weight of 408.45 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide is sourced from PubChem (CID 55730968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).