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

C20H23N3O2 — CID 56811651

IUPAC6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one
SMILESO=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCCC2CCCCC21
InChIInChI=1S/C20H23N3O2/c24-19-13-12-17(21-23(19)16-9-2-1-3-10-16)20(25)22-14-6-8-15-7-4-5-11-18(15)22/h1-3,9-10,12-13,15,18H,4-8,11,14H2
InChIKeyFHFNMLJJAUWWRG-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.03
Rot. Bonds2

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

6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one (PubChem CID 56811651) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one
PubChem CID56811651
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one
SMILESO=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCCC2CCCCC21
InChIInChI=1S/C20H23N3O2/c24-19-13-12-17(21-23(19)16-9-2-1-3-10-16)20(25)22-14-6-8-15-7-4-5-11-18(15)22/h1-3,9-10,12-13,15,18H,4-8,11,14H2
InChIKeyFHFNMLJJAUWWRG-UHFFFAOYSA-N
XLogP3.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one with MolForge

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Related Compounds

6-[(3R,8aR)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-phenylpyridazin-3-one
CID 95321311
6-oxo-1-phenylpyridazine-3-carboxylic acid
CID 16771713
3-amino-N-[[1-(6-oxo-1-phenylpyridazine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579697
6-[2-[2-(4-fluorophenyl)-2-hydroxyethyl]pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 146122143
6-[(3S)-3-methylmorpholine-4-carbonyl]-2-phenylpyridazin-3-one
CID 94095562
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one
CID 56819222
6-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 146024712
6-[3-(dimethylamino)azetidine-1-carbonyl]-2-phenylpyridazin-3-one
CID 100666593
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(6-chloropyridazin-3-yl)methanone
CID 60859361
N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31900847
2-(4-fluorophenyl)-6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 110888367
6-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-2-phenylpyridazin-3-one
CID 120820095

Frequently Asked Questions

What is the IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one?
The IUPAC name of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one (CID 56811651) is 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one?
The canonical SMILES for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one is O=C(c1ccc(=O)n(-c2ccccc2)n1)N1CCCC2CCCCC21.
What is the InChIKey of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one?
The InChIKey is FHFNMLJJAUWWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19-13-12-17(21-23(19)16-9-2-1-3-10-16)20(25)22-14-6-8-15-7-4-5-11-18(15)22/h1-3,9-10,12-13,15,18H,4-8,11,14H2.
What are the key properties of 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one?
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one has a molecular weight of 337.42 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl)-2-phenylpyridazin-3-one is sourced from PubChem (CID 56811651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).