3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide

C21H21FN2O2 — CID 110419247

IUPAC3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C21H21FN2O2/c1-13(2)17-5-3-4-6-18(17)23-20(25)10-8-15-11-14-7-9-16(22)12-19(14)24-21(15)26/h3-7,9,11-13H,8,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPPMRXTIUBANYIH-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.36
Rot. Bonds5

About 3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide

3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 110419247) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide
PubChem CID110419247
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)CCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C21H21FN2O2/c1-13(2)17-5-3-4-6-18(17)23-20(25)10-8-15-11-14-7-9-16(22)12-19(14)24-21(15)26/h3-7,9,11-13H,8,10H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPPMRXTIUBANYIH-UHFFFAOYSA-N
XLogP4.36
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110422559
N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110418371
N-(4-acetamidophenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110423904
N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110406868
N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110420828
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(4-methoxyphenyl)propanamide
CID 110422053
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110423215
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 110674030
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110674032
3-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)-1,2,4-oxadiazol-5-yl]-N-(2-propan-2-ylphenyl)propanamide
CID 135970382
ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110426665
2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110624095

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide (CID 110419247) is 3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)CCc1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of 3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is PPMRXTIUBANYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-13(2)17-5-3-4-6-18(17)23-20(25)10-8-15-11-14-7-9-16(22)12-19(14)24-21(15)26/h3-7,9,11-13H,8,10H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide?
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 352.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 110419247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).