3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one

C20H23N3O2 — CID 94824320

IUPAC3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2ccccn2)[nH]c1=O)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C20H23N3O2/c24-19-15(10-11-17(22-19)16-8-3-4-12-21-16)20(25)23-13-5-7-14-6-1-2-9-18(14)23/h3-4,8,10-12,14,18H,1-2,5-7,9,13H2,(H,22,24)/t14-,18-/m1/s1
InChIKeyUWFGJOFIPMIUSO-RDTXWAMCSA-N
MW337.42 g/mol
LogP3.23
Rot. Bonds2

About 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one

3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one (PubChem CID 94824320) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one
PubChem CID94824320
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one
SMILESO=C(c1ccc(-c2ccccn2)[nH]c1=O)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C20H23N3O2/c24-19-15(10-11-17(22-19)16-8-3-4-12-21-16)20(25)23-13-5-7-14-6-1-2-9-18(14)23/h3-4,8,10-12,14,18H,1-2,5-7,9,13H2,(H,22,24)/t14-,18-/m1/s1
InChIKeyUWFGJOFIPMIUSO-RDTXWAMCSA-N
XLogP3.23
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-6-pyridin-2-yl-1H-pyridin-2-one
CID 47780747
3-[(2R)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 125152328
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 71873396
4-[(2R)-2-cyclopentylpyrrolidine-1-carbonyl]-2H-phthalazin-1-one
CID 95579846
(3S,4S)-1-(2-oxo-6-pyridin-2-yl-1H-pyridine-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950536
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(2-chloro-3-pyridinyl)methanone
CID 78958423
4-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-N-(2-pyridin-2-ylethyl)naphthalene-1-carboxamide
CID 58707655
3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 47380030
(3-amino-2-pyridinyl)-(2-cyclopentylpyrrolidin-1-yl)methanone
CID 104742142
5-[4-[(1R,2R)-2-hydroxycyclohexyl]piperazine-1-carbonyl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 133121935
3-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 94612977
1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119356855

Frequently Asked Questions

What is the IUPAC name of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one (CID 94824320) is 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one is O=C(c1ccc(-c2ccccn2)[nH]c1=O)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one?
The InChIKey is UWFGJOFIPMIUSO-RDTXWAMCSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19-15(10-11-17(22-19)16-8-3-4-12-21-16)20(25)23-13-5-7-14-6-1-2-9-18(14)23/h3-4,8,10-12,14,18H,1-2,5-7,9,13H2,(H,22,24)/t14-,18-/m1/s1.
What are the key properties of 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one?
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one has a molecular weight of 337.42 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-6-pyridin-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 94824320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).