[2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone

C20H20N6O — CID 146080654

IUPAC[2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone
SMILESCc1ccc(N2CC3CN(C(=O)c4cnc5ccccc5n4)CC3C2)nn1
InChIInChI=1S/C20H20N6O/c1-13-6-7-19(24-23-13)25-9-14-11-26(12-15(14)10-25)20(27)18-8-21-16-4-2-3-5-17(16)22-18/h2-8,14-15H,9-12H2,1H3
InChIKeyPETJEMZZAAGKQV-UHFFFAOYSA-N
MW360.42 g/mol
LogP1.94
Rot. Bonds2

About [2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone

[2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone (PubChem CID 146080654) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is [2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone
PubChem CID146080654
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name[2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone
SMILESCc1ccc(N2CC3CN(C(=O)c4cnc5ccccc5n4)CC3C2)nn1
InChIInChI=1S/C20H20N6O/c1-13-6-7-19(24-23-13)25-9-14-11-26(12-15(14)10-25)20(27)18-8-21-16-4-2-3-5-17(16)22-18/h2-8,14-15H,9-12H2,1H3
InChIKeyPETJEMZZAAGKQV-UHFFFAOYSA-N
XLogP1.94
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone with MolForge

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Related Compounds

[2-(6-propan-2-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone
CID 126931957
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone
CID 39952041
[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 91627765
[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122351396
2-(2-quinoxalin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl)benzonitrile
CID 52917009
(3S,4S)-1-(quinoxaline-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;dihydrochloride
CID 120949116
N-[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]-N-methylquinoxaline-2-carboxamide
CID 126917242
(5-methylpyrazin-2-yl)-[2-(5-phenylpyrazin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 166604552
(3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride
CID 119576327
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
[(3aS)-2-quinoxalin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(2-ethoxynaphthalen-1-yl)methanone
CID 122691775

Frequently Asked Questions

What is the IUPAC name of [2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone (CID 146080654) is [2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone is Cc1ccc(N2CC3CN(C(=O)c4cnc5ccccc5n4)CC3C2)nn1.
What is the InChIKey of [2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone?
The InChIKey is PETJEMZZAAGKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-13-6-7-19(24-23-13)25-9-14-11-26(12-15(14)10-25)20(27)18-8-21-16-4-2-3-5-17(16)22-18/h2-8,14-15H,9-12H2,1H3.
What are the key properties of [2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone?
[2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone has a molecular weight of 360.42 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 146080654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).