4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one

C16H22N2O2 — CID 47022673

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCC3CCCCC32)cc1=O
InChIInChI=1S/C16H22N2O2/c1-17-10-8-13(11-15(17)19)16(20)18-9-4-6-12-5-2-3-7-14(12)18/h8,10-12,14H,2-7,9H2,1H3
InChIKeyPWKGTDODIIWHJH-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.18
Rot. Bonds1

About 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one (PubChem CID 47022673) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one
PubChem CID47022673
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCC3CCCCC32)cc1=O
InChIInChI=1S/C16H22N2O2/c1-17-10-8-13(11-15(17)19)16(20)18-9-4-6-12-5-2-3-7-14(12)18/h8,10-12,14H,2-7,9H2,1H3
InChIKeyPWKGTDODIIWHJH-UHFFFAOYSA-N
XLogP2.18
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one (CID 47022673) is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCCC3CCCCC32)cc1=O.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one?
The InChIKey is PWKGTDODIIWHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17-10-8-13(11-15(17)19)16(20)18-9-4-6-12-5-2-3-7-14(12)18/h8,10-12,14H,2-7,9H2,1H3.
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one?
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 47022673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).