2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide

C13H20N2O3 — CID 110196523

IUPAC2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide
SMILESCOCC(=O)NCC12CCCC=C1NC(=O)CC2
InChIInChI=1S/C13H20N2O3/c1-18-8-12(17)14-9-13-6-3-2-4-10(13)15-11(16)5-7-13/h4H,2-3,5-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyWJHJGZBLJBBTNP-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.71
Rot. Bonds4

About 2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide

2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide (PubChem CID 110196523) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide
PubChem CID110196523
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide
SMILESCOCC(=O)NCC12CCCC=C1NC(=O)CC2
InChIInChI=1S/C13H20N2O3/c1-18-8-12(17)14-9-13-6-3-2-4-10(13)15-11(16)5-7-13/h4H,2-3,5-9H2,1H3,(H,14,17)(H,15,16)
InChIKeyWJHJGZBLJBBTNP-UHFFFAOYSA-N
XLogP0.71
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide with MolForge

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Related Compounds

3-(3-Ethoxypropyl)-1-[(2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]urea
CID 91909506
2-(2-methoxyethoxy)-N-{[2-oxo-1,3,4,5,6,7-hexahydro-4(2H)-quinolinyl]methyl}acetamide
CID 91909508
1-(2-Methoxyethyl)-2-oxo-N~4A~-[3-(1-pyrrolidinyl)propyl]-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 91912795
N-{2-[cyclohexyl(methyl)amino]ethyl}-1-(2-methoxyethyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91912796
1-ethyl-N-[2-(4-morpholinyl)ethyl]-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91925181
1-Ethyl-3-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]urea
CID 110196520
2-methyl-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
CID 110196524
N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]propanamide
CID 110196527
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide
CID 110196532
2-Methyl-N-[(1-methyl-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinolin-4A-YL)methyl]propanamide
CID 110196536
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopropanecarboxamide
CID 110196537
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]propanamide
CID 110196540

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide?
The IUPAC name of 2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide (CID 110196523) is 2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide?
The canonical SMILES for 2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide is COCC(=O)NCC12CCCC=C1NC(=O)CC2.
What is the InChIKey of 2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide?
The InChIKey is WJHJGZBLJBBTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-8-12(17)14-9-13-6-3-2-4-10(13)15-11(16)5-7-13/h4H,2-3,5-9H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide?
2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(2-oxo-1,3,4,5,6,7-hexahydroquinolin-4a-yl)methyl]acetamide is sourced from PubChem (CID 110196523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).