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

C16H21FN2O3 — CID 110000666

IUPAC3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C16H21FN2O3/c1-16(2,10-20)18-14(21)7-8-19-13-5-4-12(17)9-11(13)3-6-15(19)22/h4-5,9,20H,3,6-8,10H2,1-2H3,(H,18,21)
InChIKeyFGBFZSFRHMSDBN-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.38
Rot. Bonds5

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

3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (PubChem CID 110000666) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.

Molecular Properties

Compound Name3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
PubChem CID110000666
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
SMILESCC(C)(CO)NC(=O)CCN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C16H21FN2O3/c1-16(2,10-20)18-14(21)7-8-19-13-5-4-12(17)9-11(13)3-6-15(19)22/h4-5,9,20H,3,6-8,10H2,1-2H3,(H,18,21)
InChIKeyFGBFZSFRHMSDBN-UHFFFAOYSA-N
XLogP1.38
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The IUPAC name of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide (CID 110000666) is 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide.
What is the SMILES notation for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The canonical SMILES for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is CC(C)(CO)NC(=O)CCN1C(=O)CCc2cc(F)ccc21.
What is the InChIKey of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
The InChIKey is FGBFZSFRHMSDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-16(2,10-20)18-14(21)7-8-19-13-5-4-12(17)9-11(13)3-6-15(19)22/h4-5,9,20H,3,6-8,10H2,1-2H3,(H,18,21).
What are the key properties of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide?
3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide has a molecular weight of 308.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide is sourced from PubChem (CID 110000666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).