2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide

C18H22F2N2O3 — CID 75280077

IUPAC2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)c3ccc(F)cc3F)CCC12
InChIInChI=1S/C18H22F2N2O3/c1-25-9-10-6-17(23)22-16-8-12(3-5-13(10)16)21-18(24)14-4-2-11(19)7-15(14)20/h2,4,7,10,12-13,16H,3,5-6,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyDRNPLWLZBAUIJS-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.01
Rot. Bonds4

About 2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide

2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide (PubChem CID 75280077) has the molecular formula C18H22F2N2O3 and a molecular weight of 352.38 g/mol. Its IUPAC name is 2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
PubChem CID75280077
Molecular FormulaC18H22F2N2O3
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)c3ccc(F)cc3F)CCC12
InChIInChI=1S/C18H22F2N2O3/c1-25-9-10-6-17(23)22-16-8-12(3-5-13(10)16)21-18(24)14-4-2-11(19)7-15(14)20/h2,4,7,10,12-13,16H,3,5-6,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyDRNPLWLZBAUIJS-UHFFFAOYSA-N
XLogP2.01
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,4-difluoro-N-[4-(methoxymethyl)-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-fluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide
CID 75279987
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
8-methoxy-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-oxochromene-3-carboxamide
CID 75280116
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-1H-indole-5-carboxamide
CID 75280128
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-3-fluorobenzamide
CID 75280478
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-(3-methylphenyl)acetamide
CID 75280043
2-bromo-N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)benzamide
CID 75280483
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-3-(2-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 75280125
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 75280082
N-(4-ethyl-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl)-2-(2-fluorophenoxy)acetamide
CID 75280528
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide
CID 75279918

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide (CID 75280077) is 2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide is COCC1CC(=O)NC2CC(NC(=O)c3ccc(F)cc3F)CCC12.
What is the InChIKey of 2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide?
The InChIKey is DRNPLWLZBAUIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O3/c1-25-9-10-6-17(23)22-16-8-12(3-5-13(10)16)21-18(24)14-4-2-11(19)7-15(14)20/h2,4,7,10,12-13,16H,3,5-6,8-9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide?
2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide has a molecular weight of 352.38 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]benzamide is sourced from PubChem (CID 75280077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).