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

C18H23BrN2O2 — CID 75280483

IUPAC2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
SMILESCCC1CC(=O)NC2CC(NC(=O)c3ccccc3Br)CCC12
InChIInChI=1S/C18H23BrN2O2/c1-2-11-9-17(22)21-16-10-12(7-8-13(11)16)20-18(23)14-5-3-4-6-15(14)19/h3-6,11-13,16H,2,7-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyXUFJWMSZZYBIHA-UHFFFAOYSA-N
MW379.30 g/mol
LogP3.26
Rot. Bonds3

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

2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide (PubChem CID 75280483) has the molecular formula C18H23BrN2O2 and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
PubChem CID75280483
Molecular FormulaC18H23BrN2O2
Molecular Weight379.30 g/mol
Exact Mass378.09
IUPAC Name2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
SMILESCCC1CC(=O)NC2CC(NC(=O)c3ccccc3Br)CCC12
InChIInChI=1S/C18H23BrN2O2/c1-2-11-9-17(22)21-16-10-12(7-8-13(11)16)20-18(23)14-5-3-4-6-15(14)19/h3-6,11-13,16H,2,7-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyXUFJWMSZZYBIHA-UHFFFAOYSA-N
XLogP3.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278967
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide
CID 75280478
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
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 75280528
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
4-chloro-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278993
2-bromo-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110364
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylacetamide
CID 75280036
1-(3,4-dimethylphenyl)-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-5-oxopyrrolidine-3-carboxamide
CID 75280567
3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75279124

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
The IUPAC name of 2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide (CID 75280483) is 2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
The canonical SMILES for 2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide is CCC1CC(=O)NC2CC(NC(=O)c3ccccc3Br)CCC12.
What is the InChIKey of 2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
The InChIKey is XUFJWMSZZYBIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O2/c1-2-11-9-17(22)21-16-10-12(7-8-13(11)16)20-18(23)14-5-3-4-6-15(14)19/h3-6,11-13,16H,2,7-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide has a molecular weight of 379.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide is sourced from PubChem (CID 75280483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).