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

C18H25N3O4 — CID 75279918

IUPACN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)COc3cccnc3)CCC12
InChIInChI=1S/C18H25N3O4/c1-24-10-12-7-17(22)21-16-8-13(4-5-15(12)16)20-18(23)11-25-14-3-2-6-19-9-14/h2-3,6,9,12-13,15-16H,4-5,7-8,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyVSLDXQAEMMJCJK-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.90
Rot. Bonds6

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

N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide (PubChem CID 75279918) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide.

Molecular Properties

Compound NameN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide
PubChem CID75279918
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide
SMILESCOCC1CC(=O)NC2CC(NC(=O)COc3cccnc3)CCC12
InChIInChI=1S/C18H25N3O4/c1-24-10-12-7-17(22)21-16-8-13(4-5-15(12)16)20-18(23)11-25-14-3-2-6-19-9-14/h2-3,6,9,12-13,15-16H,4-5,7-8,10-11H2,1H3,(H,20,23)(H,21,22)
InChIKeyVSLDXQAEMMJCJK-UHFFFAOYSA-N
XLogP0.90
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide?
The IUPAC name of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide (CID 75279918) is N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide.
What is the SMILES notation for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide?
The canonical SMILES for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide is COCC1CC(=O)NC2CC(NC(=O)COc3cccnc3)CCC12.
What is the InChIKey of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide?
The InChIKey is VSLDXQAEMMJCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-10-12-7-17(22)21-16-8-13(4-5-15(12)16)20-18(23)11-25-14-3-2-6-19-9-14/h2-3,6,9,12-13,15-16H,4-5,7-8,10-11H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide?
N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide has a molecular weight of 347.42 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methoxymethyl)-2-oxo-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-7-yl]-2-pyridin-3-yloxyacetamide is sourced from PubChem (CID 75279918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).