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

C18H25FN2O3 — CID 110002185

IUPAC3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
SMILESCCC(C)(CCO)NC(=O)CCN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C18H25FN2O3/c1-3-18(2,9-11-22)20-16(23)8-10-21-15-6-5-14(19)12-13(15)4-7-17(21)24/h5-6,12,22H,3-4,7-11H2,1-2H3,(H,20,23)
InChIKeyFQQSUJBNTUUPEQ-UHFFFAOYSA-N
MW336.41 g/mol
LogP2.16
Rot. Bonds7

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

3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide (PubChem CID 110002185) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
PubChem CID110002185
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide
SMILESCCC(C)(CCO)NC(=O)CCN1C(=O)CCc2cc(F)ccc21
InChIInChI=1S/C18H25FN2O3/c1-3-18(2,9-11-22)20-16(23)8-10-21-15-6-5-14(19)12-13(15)4-7-17(21)24/h5-6,12,22H,3-4,7-11H2,1-2H3,(H,20,23)
InChIKeyFQQSUJBNTUUPEQ-UHFFFAOYSA-N
XLogP2.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 52.16
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-3-methylpentan-3-yl)propanamide?
The IUPAC name of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide (CID 110002185) is 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide.
What is the SMILES notation for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
The canonical SMILES for 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide is CCC(C)(CCO)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-3-methylpentan-3-yl)propanamide?
The InChIKey is FQQSUJBNTUUPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-3-18(2,9-11-22)20-16(23)8-10-21-15-6-5-14(19)12-13(15)4-7-17(21)24/h5-6,12,22H,3-4,7-11H2,1-2H3,(H,20,23).
What are the key properties of 3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide?
3-(6-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)-N-(1-hydroxy-3-methylpentan-3-yl)propanamide has a molecular weight of 336.41 g/mol, XLogP of 2.16, 7 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-3-methylpentan-3-yl)propanamide is sourced from PubChem (CID 110002185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).