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

C18H23FN2O2 — CID 75280478

IUPACN-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide
SMILESCCC1CC(=O)NC2CC(NC(=O)c3cccc(F)c3)CCC12
InChIInChI=1S/C18H23FN2O2/c1-2-11-9-17(22)21-16-10-14(6-7-15(11)16)20-18(23)12-4-3-5-13(19)8-12/h3-5,8,11,14-16H,2,6-7,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyRBYSUTGHDVHNRF-UHFFFAOYSA-N
MW318.39 g/mol
LogP2.64
Rot. Bonds3

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

N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide (PubChem CID 75280478) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide
PubChem CID75280478
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC NameN-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide
SMILESCCC1CC(=O)NC2CC(NC(=O)c3cccc(F)c3)CCC12
InChIInChI=1S/C18H23FN2O2/c1-2-11-9-17(22)21-16-10-14(6-7-15(11)16)20-18(23)12-4-3-5-13(19)8-12/h3-5,8,11,14-16H,2,6-7,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyRBYSUTGHDVHNRF-UHFFFAOYSA-N
XLogP2.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280461
2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280483
3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75279124
2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75280077
4-chloro-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278993
2-chloro-6-fluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75279999
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
N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350
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-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 75280616
2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278967
3-fluoro-N-(2-oxopiperidin-4-yl)benzamide
CID 112534527

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)-3-fluorobenzamide?
The IUPAC name of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide (CID 75280478) is N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide.
What is the SMILES notation for N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide?
The canonical SMILES for N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide is CCC1CC(=O)NC2CC(NC(=O)c3cccc(F)c3)CCC12.
What is the InChIKey of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide?
The InChIKey is RBYSUTGHDVHNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-2-11-9-17(22)21-16-10-14(6-7-15(11)16)20-18(23)12-4-3-5-13(19)8-12/h3-5,8,11,14-16H,2,6-7,9-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide?
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide has a molecular weight of 318.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 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)-3-fluorobenzamide is sourced from PubChem (CID 75280478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).