7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C22H24FN3O5S — CID 16599735

IUPAC7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c2ccc(F)cc2N1
InChIInChI=1S/C22H24FN3O5S/c23-17-5-6-18-19(12-21(27)25-20(18)11-17)22(28)24-13-15-3-1-2-4-16(15)14-32(29,30)26-7-9-31-10-8-26/h1-6,11,19H,7-10,12-14H2,(H,24,28)(H,25,27)
InChIKeyAGZDZLHFGPDXKA-UHFFFAOYSA-N
MW461.52 g/mol
LogP1.73
Rot. Bonds6

About 7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 16599735) has the molecular formula C22H24FN3O5S and a molecular weight of 461.52 g/mol. Its IUPAC name is 7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID16599735
Molecular FormulaC22H24FN3O5S
Molecular Weight461.52 g/mol
Exact Mass461.14
IUPAC Name7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c2ccc(F)cc2N1
InChIInChI=1S/C22H24FN3O5S/c23-17-5-6-18-19(12-21(27)25-20(18)11-17)22(28)24-13-15-3-1-2-4-16(15)14-32(29,30)26-7-9-31-10-8-26/h1-6,11,19H,7-10,12-14H2,(H,24,28)(H,25,27)
InChIKeyAGZDZLHFGPDXKA-UHFFFAOYSA-N
XLogP1.73
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16597442
(4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 31615064
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813
N-[[2-(diethylaminomethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42931734
7-fluoro-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46470691
(4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 37252141
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119275548
(4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434866
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119275550
(4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434450
7-fluoro-2-oxo-N-[(3-phenylcyclobutyl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 167920082
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55512306

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 16599735) is 7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is AGZDZLHFGPDXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O5S/c23-17-5-6-18-19(12-21(27)25-20(18)11-17)22(28)24-13-15-3-1-2-4-16(15)14-32(29,30)26-7-9-31-10-8-26/h1-6,11,19H,7-10,12-14H2,(H,24,28)(H,25,27).
What are the key properties of 7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 16599735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).