N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide

C21H21FN2O2 — CID 110428645

IUPACN-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCc1cc2ccc(F)cc2[nH]c1=O)c1cccc(C)c1
InChIInChI=1S/C21H21FN2O2/c1-3-24(18-6-4-5-14(2)11-18)20(25)10-8-16-12-15-7-9-17(22)13-19(15)23-21(16)26/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,23,26)
InChIKeyBHEWUWJGMBLTGH-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.96
Rot. Bonds5

About N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide

N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide (PubChem CID 110428645) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
PubChem CID110428645
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC NameN-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
SMILESCCN(C(=O)CCc1cc2ccc(F)cc2[nH]c1=O)c1cccc(C)c1
InChIInChI=1S/C21H21FN2O2/c1-3-24(18-6-4-5-14(2)11-18)20(25)10-8-16-12-15-7-9-17(22)13-19(15)23-21(16)26/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,23,26)
InChIKeyBHEWUWJGMBLTGH-UHFFFAOYSA-N
XLogP3.96
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)butanamide
CID 930030
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N-ethyl-2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-(3-methylphenyl)acetamide
CID 113211908
N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
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3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-phenylbutanamide
CID 930092
3-(2,4-dimethylphenyl)-N-ethyl-N-(4-fluorophenyl)propanamide
CID 134055535
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-5-fluoro-3-methyl-N-(3-methylphenyl)-1H-indole-2-carboxamide
CID 113204665
N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110406868
2-(7-fluoro-2-oxo-1H-quinolin-3-yl)ethylcarbamic acid
CID 118936154
4-fluoro-N-(3-methoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3912150

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide?
The IUPAC name of N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide (CID 110428645) is N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide?
The canonical SMILES for N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide is CCN(C(=O)CCc1cc2ccc(F)cc2[nH]c1=O)c1cccc(C)c1.
What is the InChIKey of N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide?
The InChIKey is BHEWUWJGMBLTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-3-24(18-6-4-5-14(2)11-18)20(25)10-8-16-12-15-7-9-17(22)13-19(15)23-21(16)26/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,23,26).
What are the key properties of N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide?
N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide has a molecular weight of 352.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 110428645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).