3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide

C16H19FN2O — CID 110465216

IUPAC3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCc1ccc2cc(F)ccc2n1
InChIInChI=1S/C16H19FN2O/c1-11(2)10-18-16(20)8-6-14-5-3-12-9-13(17)4-7-15(12)19-14/h3-5,7,9,11H,6,8,10H2,1-2H3,(H,18,20)
InChIKeyYHGVTDFHSXUTAA-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.08
Rot. Bonds5

About 3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide

3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide (PubChem CID 110465216) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide
PubChem CID110465216
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCc1ccc2cc(F)ccc2n1
InChIInChI=1S/C16H19FN2O/c1-11(2)10-18-16(20)8-6-14-5-3-12-9-13(17)4-7-15(12)19-14/h3-5,7,9,11H,6,8,10H2,1-2H3,(H,18,20)
InChIKeyYHGVTDFHSXUTAA-UHFFFAOYSA-N
XLogP3.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-fluoroquinolin-2-yl)-N-methylpropanamide
CID 110465204
2-(6-fluoroquinolin-2-yl)-N-(2-hydroxypropyl)acetamide
CID 110490409
3-(6-fluoroquinolin-2-yl)propanoic acid
CID 82242044
N-butan-2-yl-3-(7-fluoroquinolin-2-yl)propanamide
CID 110486620
2-[[2-(6-fluoroquinolin-2-yl)acetyl]amino]propanoic acid
CID 110490402
3-(6-methylquinolin-2-yl)-N-propan-2-ylpropanamide
CID 110486582
3-(2-methyl-1,3-oxazol-4-yl)-N-(2-methylpropyl)propanamide
CID 110679163
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-(2-methylpropyl)propanamide
CID 113121058
ethane;2-ethyl-6-fluoroquinoline
CID 142538501
2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
CID 115583771
3-(6-fluoroquinolin-2-yl)-2-hydroxy-1-phenylpropan-1-one
CID 132915457
methyl 3-(6,7-difluoroquinolin-2-yl)propanoate
CID 82244958

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide (CID 110465216) is 3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCc1ccc2cc(F)ccc2n1.
What is the InChIKey of 3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is YHGVTDFHSXUTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-11(2)10-18-16(20)8-6-14-5-3-12-9-13(17)4-7-15(12)19-14/h3-5,7,9,11H,6,8,10H2,1-2H3,(H,18,20).
What are the key properties of 3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide?
3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 274.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoroquinolin-2-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 110465216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).