8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide

C20H17FN2O2 — CID 130421211

IUPAC8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
SMILESCC(C=O)(Cc1ccccc1)NC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C20H17FN2O2/c1-20(13-24,11-14-6-3-2-4-7-14)23-19(25)16-10-15-8-5-9-17(21)18(15)22-12-16/h2-10,12-13H,11H2,1H3,(H,23,25)
InChIKeyRGCWZTIAHCGHML-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.30
Rot. Bonds5

About 8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide

8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide (PubChem CID 130421211) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
PubChem CID130421211
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
SMILESCC(C=O)(Cc1ccccc1)NC(=O)c1cnc2c(F)cccc2c1
InChIInChI=1S/C20H17FN2O2/c1-20(13-24,11-14-6-3-2-4-7-14)23-19(25)16-10-15-8-5-9-17(21)18(15)22-12-16/h2-10,12-13H,11H2,1H3,(H,23,25)
InChIKeyRGCWZTIAHCGHML-UHFFFAOYSA-N
XLogP3.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
Quinoline-3-carboxylic acid adamantan-1-ylamide
CID 12042753
2-fluoro-N-[2-(6-methylpyridin-3-yl)propan-2-yl]-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748144
4-[methyl(octyl)amino]-N-quinolin-3-ylbenzamide
CID 44450313
4-[hexyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 44450322
4-[butyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 44450336
4-hexyl-N-quinolin-3-ylbenzamide
CID 44450347
N-[(2S)-1-[(4R)-4-(4-fluorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]propan-2-yl]quinoline-3-carboxamide
CID 50902705
3-Quinolinecarboxamide
CID 15561101
4-(2-Trifluoroacetamidophenyl)pyrido[3,2-g]quinoline-5,10-dione
CID 9908770

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide (CID 130421211) is 8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide is CC(C=O)(Cc1ccccc1)NC(=O)c1cnc2c(F)cccc2c1.
What is the InChIKey of 8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide?
The InChIKey is RGCWZTIAHCGHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-20(13-24,11-14-6-3-2-4-7-14)23-19(25)16-10-15-8-5-9-17(21)18(15)22-12-16/h2-10,12-13H,11H2,1H3,(H,23,25).
What are the key properties of 8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide?
8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide is sourced from PubChem (CID 130421211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).