N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide

C16H19N3O5S — CID 97146965

IUPACN-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCS(=O)(=O)N1CCO[C@@H](CNC(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C16H19N3O5S/c1-25(22,23)19-6-7-24-11(10-19)9-17-16(21)13-8-15(20)18-14-5-3-2-4-12(13)14/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,21)(H,18,20)/t11-/m0/s1
InChIKeyJRYXBAXNWGHWLK-NSHDSACASA-N
MW365.41 g/mol
LogP-0.08
Rot. Bonds4

About N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide

N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 97146965) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID97146965
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC NameN-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCS(=O)(=O)N1CCO[C@@H](CNC(=O)c2cc(=O)[nH]c3ccccc23)C1
InChIInChI=1S/C16H19N3O5S/c1-25(22,23)19-6-7-24-11(10-19)9-17-16(21)13-8-15(20)18-14-5-3-2-4-12(13)14/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,21)(H,18,20)/t11-/m0/s1
InChIKeyJRYXBAXNWGHWLK-NSHDSACASA-N
XLogP-0.08
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide with MolForge

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Related Compounds

2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 2977759
2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 74250803
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 94813358
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 17439492
6-morpholin-4-ylsulfonyl-2-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 4651455
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552
2-(2,3-dihydro-1H-inden-2-yl)-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]acetamide
CID 124754537
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-2-oxo-1H-quinoline-4-carboxamide
CID 29299185
N-(2-methyl-2-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 2450820
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 55613097
8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide
CID 70785399

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide (CID 97146965) is N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide is CS(=O)(=O)N1CCO[C@@H](CNC(=O)c2cc(=O)[nH]c3ccccc23)C1.
What is the InChIKey of N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is JRYXBAXNWGHWLK-NSHDSACASA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-25(22,23)19-6-7-24-11(10-19)9-17-16(21)13-8-15(20)18-14-5-3-2-4-12(13)14/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,21)(H,18,20)/t11-/m0/s1.
What are the key properties of N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 365.41 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 97146965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).