8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide

C16H18FN3O4S — CID 70785399

IUPAC8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide
SMILESCS(=O)(=O)N1CCOC(CNC(=O)c2ccc3cccc(F)c3n2)C1
InChIInChI=1S/C16H18FN3O4S/c1-25(22,23)20-7-8-24-12(10-20)9-18-16(21)14-6-5-11-3-2-4-13(17)15(11)19-14/h2-6,12H,7-10H2,1H3,(H,18,21)
InChIKeySRWRSDAEEBFQNW-UHFFFAOYSA-N
MW367.40 g/mol
LogP0.76
Rot. Bonds4

About 8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide

8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide (PubChem CID 70785399) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is 8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide
PubChem CID70785399
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC Name8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide
SMILESCS(=O)(=O)N1CCOC(CNC(=O)c2ccc3cccc(F)c3n2)C1
InChIInChI=1S/C16H18FN3O4S/c1-25(22,23)20-7-8-24-12(10-20)9-18-16(21)14-6-5-11-3-2-4-13(17)15(11)19-14/h2-6,12H,7-10H2,1H3,(H,18,21)
InChIKeySRWRSDAEEBFQNW-UHFFFAOYSA-N
XLogP0.76
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-difluorophenyl)-3-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]urea
CID 97285718
N-[(2-fluorophenyl)methyl]-2-[(4-methylsulfonylmorpholin-2-yl)methylamino]acetamide
CID 50979216
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-3-(1H-pyrazol-4-yl)benzamide
CID 74237959
2-(1H-imidazol-2-yl)-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 74250803
2-ethyl-4-methyl-N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 99927603
2-ethyl-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 77079880
6-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 74230815
2-methyl-N-[[(2R)-4-methylsulfonylmorpholin-2-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 99938799
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 97437904
N-[[(2S)-4-methylsulfonylmorpholin-2-yl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 97146965
3,5-dichloro-4-methyl-N-[(4-methylsulfonylmorpholin-2-yl)methyl]benzamide
CID 72894552
N-methyl-3-[[(2R)-4-methylsulfonylmorpholin-2-yl]methylcarbamoylamino]benzamide
CID 125161188

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of 8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide (CID 70785399) is 8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for 8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for 8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide is CS(=O)(=O)N1CCOC(CNC(=O)c2ccc3cccc(F)c3n2)C1.
What is the InChIKey of 8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide?
The InChIKey is SRWRSDAEEBFQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c1-25(22,23)20-7-8-24-12(10-20)9-18-16(21)14-6-5-11-3-2-4-13(17)15(11)19-14/h2-6,12H,7-10H2,1H3,(H,18,21).
What are the key properties of 8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide?
8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[(4-methylsulfonylmorpholin-2-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 70785399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).