6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide

C21H21FN2O2 — CID 30133417

IUPAC6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cn(C)c2ccc(F)cc2c1=O
InChIInChI=1S/C21H21FN2O2/c1-14(8-9-15-6-4-3-5-7-15)23-21(26)18-13-24(2)19-11-10-16(22)12-17(19)20(18)25/h3-7,10-14H,8-9H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyGFDZINBAQJFPJW-CQSZACIVSA-N
MW352.41 g/mol
LogP3.43
Rot. Bonds5

About 6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide

6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide (PubChem CID 30133417) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
PubChem CID30133417
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cn(C)c2ccc(F)cc2c1=O
InChIInChI=1S/C21H21FN2O2/c1-14(8-9-15-6-4-3-5-7-15)23-21(26)18-13-24(2)19-11-10-16(22)12-17(19)20(18)25/h3-7,10-14H,8-9H2,1-2H3,(H,23,26)/t14-/m1/s1
InChIKeyGFDZINBAQJFPJW-CQSZACIVSA-N
XLogP3.43
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide with MolForge

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Related Compounds

6-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
CID 98463328
6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133154
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220
N-[1-(5-fluoro-1-methylindol-3-yl)propan-2-yl]-2-(methylamino)benzamide
CID 167819442
N-[(1R)-3-amino-3-oxo-1-phenylpropyl]-5-fluoro-1-methylindole-3-carboxamide
CID 154861063
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
6-ethoxy-1-methyl-4-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 30133856
2-chloro-4,5-difluoro-N-(4-phenylbutan-2-yl)benzamide
CID 3527786
N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133240
N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133148
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032
5-fluoro-N-[(2R)-4-phenylbutan-2-yl]-1H-indole-2-carboxamide
CID 39982788

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide (CID 30133417) is 6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide is C[C@H](CCc1ccccc1)NC(=O)c1cn(C)c2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide?
The InChIKey is GFDZINBAQJFPJW-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-14(8-9-15-6-4-3-5-7-15)23-21(26)18-13-24(2)19-11-10-16(22)12-17(19)20(18)25/h3-7,10-14H,8-9H2,1-2H3,(H,23,26)/t14-/m1/s1.
What are the key properties of 6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide?
6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide is sourced from PubChem (CID 30133417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).