6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide

C18H20FN3O3 — CID 166368636

IUPAC6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide
SMILESCC(O)C(=O)N1CCC(C)(NC(=O)c2cc(F)cc3cccnc23)C1
InChIInChI=1S/C18H20FN3O3/c1-11(23)17(25)22-7-5-18(2,10-22)21-16(24)14-9-13(19)8-12-4-3-6-20-15(12)14/h3-4,6,8-9,11,23H,5,7,10H2,1-2H3,(H,21,24)
InChIKeyJSFMCATYKPTWHG-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.48
Rot. Bonds3

About 6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide

6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide (PubChem CID 166368636) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide
PubChem CID166368636
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide
SMILESCC(O)C(=O)N1CCC(C)(NC(=O)c2cc(F)cc3cccnc23)C1
InChIInChI=1S/C18H20FN3O3/c1-11(23)17(25)22-7-5-18(2,10-22)21-16(24)14-9-13(19)8-12-4-3-6-20-15(12)14/h3-4,6,8-9,11,23H,5,7,10H2,1-2H3,(H,21,24)
InChIKeyJSFMCATYKPTWHG-UHFFFAOYSA-N
XLogP1.48
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-N-[4-(trifluoromethyl)oxan-4-yl]quinoline-8-carboxamide
CID 154756426
3-[(6-fluoroquinoline-8-carbonyl)amino]oxolane-3-carboxylic acid
CID 120532730
(6-fluoroquinolin-8-yl)-(3-methylazetidin-1-yl)methanone
CID 166218123
6-fluoro-N-[3-(methylsulfonylmethyl)oxetan-3-yl]quinoline-8-carboxamide
CID 131962943
6-fluoro-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]quinoline-8-carboxamide
CID 84597493
4-(6-fluoroquinoline-8-carbonyl)-3-propan-2-ylpiperazin-2-one
CID 146124397
5-fluoro-2-hydroxy-N-(1-methylcyclopropyl)benzamide
CID 115883770
N-(1,4-dimethylpiperidin-4-yl)-5-fluoro-2-methylbenzamide
CID 134434469
N-[[1-(3-hydroxy-2-methylpropanoyl)-3-methylpyrrolidin-3-yl]methyl]quinoline-7-carboxamide
CID 166373542
5-fluoro-N-[4-methyl-1-(3-pyridin-3-yl-1,2-oxazole-5-carbonyl)piperidin-4-yl]pyrimidine-2-carboxamide
CID 166333203
(3S,4S)-1-(6-fluoroquinoline-8-carbonyl)-4-methylpyrrolidine-3-carboxamide
CID 167880274
6-fluoro-N-[1-(3-methoxyphenyl)piperidin-3-yl]quinoline-8-carboxamide
CID 167744210

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide?
The IUPAC name of 6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide (CID 166368636) is 6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide.
What is the SMILES notation for 6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide?
The canonical SMILES for 6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide is CC(O)C(=O)N1CCC(C)(NC(=O)c2cc(F)cc3cccnc23)C1.
What is the InChIKey of 6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide?
The InChIKey is JSFMCATYKPTWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-11(23)17(25)22-7-5-18(2,10-22)21-16(24)14-9-13(19)8-12-4-3-6-20-15(12)14/h3-4,6,8-9,11,23H,5,7,10H2,1-2H3,(H,21,24).
What are the key properties of 6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide?
6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[1-(2-hydroxypropanoyl)-3-methylpyrrolidin-3-yl]quinoline-8-carboxamide is sourced from PubChem (CID 166368636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).