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

C16H19FN2O2 — CID 110406868

IUPACN-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCCC(C)NC(=O)CCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C16H19FN2O2/c1-3-10(2)18-15(20)7-5-12-8-11-4-6-13(17)9-14(11)19-16(12)21/h4,6,8-10H,3,5,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMLFDGFORHSDVEV-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.51
Rot. Bonds5

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

N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110406868) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110406868
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCCC(C)NC(=O)CCc1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C16H19FN2O2/c1-3-10(2)18-15(20)7-5-12-8-11-4-6-13(17)9-14(11)19-16(12)21/h4,6,8-10H,3,5,7H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyMLFDGFORHSDVEV-UHFFFAOYSA-N
XLogP2.51
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226
N-(4-acetamidophenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110423904
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 110419247
2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 110624095
N-(2,6-dimethylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110418371
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyphenyl)propanamide
CID 110422559
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(4-methoxyphenyl)propanamide
CID 110422053
N-cyclopentyl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110407034
ethyl 4-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110426665
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-methyl-4-pyridinyl)propanamide
CID 110674030
N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110420828
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110674032

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide (CID 110406868) is N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide is CCC(C)NC(=O)CCc1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is MLFDGFORHSDVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-3-10(2)18-15(20)7-5-12-8-11-4-6-13(17)9-14(11)19-16(12)21/h4,6,8-10H,3,5,7H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide?
N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 290.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110406868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).