3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide

C16H21FN2O2 — CID 71929873

IUPAC3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C16H21FN2O2/c1-11(2)10-18-15(20)7-8-19-14-5-4-13(17)9-12(14)3-6-16(19)21/h4-5,9,11H,3,6-8,10H2,1-2H3,(H,18,20)
InChIKeyDLKCSXRLUQQGQR-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.27
Rot. Bonds5

About 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide

3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide (PubChem CID 71929873) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide
PubChem CID71929873
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)CCN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C16H21FN2O2/c1-11(2)10-18-15(20)7-8-19-14-5-4-13(17)9-12(14)3-6-16(19)21/h4-5,9,11H,3,6-8,10H2,1-2H3,(H,18,20)
InChIKeyDLKCSXRLUQQGQR-UHFFFAOYSA-N
XLogP2.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide (CID 71929873) is 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)CCN1C(=O)CCc2cc(F)ccc21.
What is the InChIKey of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is DLKCSXRLUQQGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(2)10-18-15(20)7-8-19-14-5-4-13(17)9-12(14)3-6-16(19)21/h4-5,9,11H,3,6-8,10H2,1-2H3,(H,18,20).
What are the key properties of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide?
3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 292.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 71929873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).