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

C20H28N2O2 — CID 75278967

IUPAC2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
SMILESCCCC1CC(=O)NC2CC(NC(=O)c3ccccc3C)CCC12
InChIInChI=1S/C20H28N2O2/c1-3-6-14-11-19(23)22-18-12-15(9-10-17(14)18)21-20(24)16-8-5-4-7-13(16)2/h4-5,7-8,14-15,17-18H,3,6,9-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQHCZARHJJOJGCI-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.20
Rot. Bonds4

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

2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide (PubChem CID 75278967) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
PubChem CID75278967
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
SMILESCCCC1CC(=O)NC2CC(NC(=O)c3ccccc3C)CCC12
InChIInChI=1S/C20H28N2O2/c1-3-6-14-11-19(23)22-18-12-15(9-10-17(14)18)21-20(24)16-8-5-4-7-13(16)2/h4-5,7-8,14-15,17-18H,3,6,9-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyQHCZARHJJOJGCI-UHFFFAOYSA-N
XLogP3.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280483
4-chloro-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75278993
N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-phenoxyacetamide
CID 75279024
3-cyano-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75279124
2-fluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75279987
4-tert-butyl-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280461
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide
CID 75280478
2-methyl-N-[(3R)-6-oxopiperidin-3-yl]benzamide
CID 70955192
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
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-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-phenylacetamide
CID 75280036
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
The IUPAC name of 2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide (CID 75278967) is 2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
The canonical SMILES for 2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide is CCCC1CC(=O)NC2CC(NC(=O)c3ccccc3C)CCC12.
What is the InChIKey of 2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
The InChIKey is QHCZARHJJOJGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-6-14-11-19(23)22-18-12-15(9-10-17(14)18)21-20(24)16-8-5-4-7-13(16)2/h4-5,7-8,14-15,17-18H,3,6,9-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide?
2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide has a molecular weight of 328.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxo-4-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide is sourced from PubChem (CID 75278967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).