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

C21H22FN3O5S — CID 16597442

IUPAC7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2N1
InChIInChI=1S/C21H22FN3O5S/c22-15-3-6-17-18(12-20(26)24-19(17)11-15)21(27)23-13-14-1-4-16(5-2-14)31(28,29)25-7-9-30-10-8-25/h1-6,11,18H,7-10,12-13H2,(H,23,27)(H,24,26)
InChIKeySHYHVDZFWFSURM-UHFFFAOYSA-N
MW447.49 g/mol
LogP1.59
Rot. Bonds5

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

7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 16597442) has the molecular formula C21H22FN3O5S and a molecular weight of 447.49 g/mol. Its IUPAC name is 7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID16597442
Molecular FormulaC21H22FN3O5S
Molecular Weight447.49 g/mol
Exact Mass447.13
IUPAC Name7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2N1
InChIInChI=1S/C21H22FN3O5S/c22-15-3-6-17-18(12-20(26)24-19(17)11-15)21(27)23-13-14-1-4-16(5-2-14)31(28,29)25-7-9-30-10-8-25/h1-6,11,18H,7-10,12-13H2,(H,23,27)(H,24,26)
InChIKeySHYHVDZFWFSURM-UHFFFAOYSA-N
XLogP1.59
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16599735
(4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 37252141
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 119271576
(4S)-7-fluoro-2-oxo-N-(thiophen-2-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434866
(4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434450
7-fluoro-N-[(2-methylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136813
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46517438
1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 43874981
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 24518898

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 16597442) is 7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is SHYHVDZFWFSURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O5S/c22-15-3-6-17-18(12-20(26)24-19(17)11-15)21(27)23-13-14-1-4-16(5-2-14)31(28,29)25-7-9-30-10-8-25/h1-6,11,18H,7-10,12-13H2,(H,23,27)(H,24,26).
What are the key properties of 7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 16597442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).