N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide

C19H25FN2O3 — CID 75280528

IUPACN-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide
SMILESCCC1CC(=O)NC2CC(NC(=O)COc3ccccc3F)CCC12
InChIInChI=1S/C19H25FN2O3/c1-2-12-9-18(23)22-16-10-13(7-8-14(12)16)21-19(24)11-25-17-6-4-3-5-15(17)20/h3-6,12-14,16H,2,7-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyOCAUWZDDEHANGO-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.40
Rot. Bonds5

About N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide

N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide (PubChem CID 75280528) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide
PubChem CID75280528
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC NameN-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide
SMILESCCC1CC(=O)NC2CC(NC(=O)COc3ccccc3F)CCC12
InChIInChI=1S/C19H25FN2O3/c1-2-12-9-18(23)22-16-10-13(7-8-14(12)16)21-19(24)11-25-17-6-4-3-5-15(17)20/h3-6,12-14,16H,2,7-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyOCAUWZDDEHANGO-UHFFFAOYSA-N
XLogP2.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide with MolForge

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Related Compounds

N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide
CID 75279024
2-fluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75279987
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(4-methoxyphenoxy)acetamide
CID 75280028
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylacetamide
CID 75280036
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide
CID 75279918
2-(2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 110488066
2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75280077
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 75280400
cis-(1S,3R)-3-[[2-(2,4-difluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675579
N-(3,3-dimethylcyclopentyl)-2-(2-fluorophenoxy)acetamide
CID 115880485
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-(3-methylphenyl)acetamide
CID 75280043
2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278967

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide (CID 75280528) is N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide is CCC1CC(=O)NC2CC(NC(=O)COc3ccccc3F)CCC12.
What is the InChIKey of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide?
The InChIKey is OCAUWZDDEHANGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c1-2-12-9-18(23)22-16-10-13(7-8-14(12)16)21-19(24)11-25-17-6-4-3-5-15(17)20/h3-6,12-14,16H,2,7-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide?
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide has a molecular weight of 348.42 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 75280528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).