6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide

C24H27N3O4S — CID 92696194

IUPAC6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc12)c1ccccc1
InChIInChI=1S/C24H27N3O4S/c1-16-8-6-7-13-27(16)32(30,31)19-11-12-22-20(14-19)21(15-23(28)26-22)24(29)25-17(2)18-9-4-3-5-10-18/h3-5,9-12,14-17H,6-8,13H2,1-2H3,(H,25,29)(H,26,28)/t16-,17+/m1/s1
InChIKeyQWYXWCJCJYXFBI-SJORKVTESA-N
MW453.56 g/mol
LogP3.58
Rot. Bonds5

About 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide

6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide (PubChem CID 92696194) has the molecular formula C24H27N3O4S and a molecular weight of 453.56 g/mol. Its IUPAC name is 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide
PubChem CID92696194
Molecular FormulaC24H27N3O4S
Molecular Weight453.56 g/mol
Exact Mass453.17
IUPAC Name6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc12)c1ccccc1
InChIInChI=1S/C24H27N3O4S/c1-16-8-6-7-13-27(16)32(30,31)19-11-12-22-20(14-19)21(15-23(28)26-22)24(29)25-17(2)18-9-4-3-5-10-18/h3-5,9-12,14-17H,6-8,13H2,1-2H3,(H,25,29)(H,26,28)/t16-,17+/m1/s1
InChIKeyQWYXWCJCJYXFBI-SJORKVTESA-N
XLogP3.58
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.56
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide (CID 92696194) is 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide is C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc12)c1ccccc1.
What is the InChIKey of 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide?
The InChIKey is QWYXWCJCJYXFBI-SJORKVTESA-N. The full InChI is InChI=1S/C24H27N3O4S/c1-16-8-6-7-13-27(16)32(30,31)19-11-12-22-20(14-19)21(15-23(28)26-22)24(29)25-17(2)18-9-4-3-5-10-18/h3-5,9-12,14-17H,6-8,13H2,1-2H3,(H,25,29)(H,26,28)/t16-,17+/m1/s1.
What are the key properties of 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide?
6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide has a molecular weight of 453.56 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-N-[(1S)-1-phenylethyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 92696194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).