5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one

C17H24N2O2 — CID 95139212

IUPAC5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one
SMILESC[C@@H]1CCC[C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)[C@@H]21
InChIInChI=1S/C17H24N2O2/c1-12-5-3-6-13-7-4-10-19(16(12)13)17(21)14-8-9-15(20)18(2)11-14/h8-9,11-13,16H,3-7,10H2,1-2H3/t12-,13+,16-/m1/s1
InChIKeyIRPRQSRFKYFGQZ-DVOMOZLQSA-N
MW288.39 g/mol
LogP2.43
Rot. Bonds1

About 5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one

5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 95139212) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one
PubChem CID95139212
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one
SMILESC[C@@H]1CCC[C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)[C@@H]21
InChIInChI=1S/C17H24N2O2/c1-12-5-3-6-13-7-4-10-19(16(12)13)17(21)14-8-9-15(20)18(2)11-14/h8-9,11-13,16H,3-7,10H2,1-2H3/t12-,13+,16-/m1/s1
InChIKeyIRPRQSRFKYFGQZ-DVOMOZLQSA-N
XLogP2.43
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

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1-methyl-5-[4-[(2R)-1-(5-methylpyrazine-2-carbonyl)piperidin-2-yl]piperidine-1-carbonyl]pyridin-2-one
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4-[(2S)-2-cyclobutylpyrrolidine-1-carbonyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one (CID 95139212) is 5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one is C[C@@H]1CCC[C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)[C@@H]21.
What is the InChIKey of 5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is IRPRQSRFKYFGQZ-DVOMOZLQSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-5-3-6-13-7-4-10-19(16(12)13)17(21)14-8-9-15(20)18(2)11-14/h8-9,11-13,16H,3-7,10H2,1-2H3/t12-,13+,16-/m1/s1.
What are the key properties of 5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one?
5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4aS,8R,8aR)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 95139212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).