[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone

C19H23N3O — CID 133120312

IUPAC[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
SMILESCc1cc(C)c2nc(C)cc(C(=O)N3CC[C@@H]4CNC[C@@H]43)c2c1
InChIInChI=1S/C19H23N3O/c1-11-6-12(2)18-15(7-11)16(8-13(3)21-18)19(23)22-5-4-14-9-20-10-17(14)22/h6-8,14,17,20H,4-5,9-10H2,1-3H3/t14-,17+/m1/s1
InChIKeyAVHALKCGOSAZLK-PBHICJAKSA-N
MW309.41 g/mol
LogP2.59
Rot. Bonds1

About [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone

[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone (PubChem CID 133120312) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
PubChem CID133120312
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
SMILESCc1cc(C)c2nc(C)cc(C(=O)N3CC[C@@H]4CNC[C@@H]43)c2c1
InChIInChI=1S/C19H23N3O/c1-11-6-12(2)18-15(7-11)16(8-13(3)21-18)19(23)22-5-4-14-9-20-10-17(14)22/h6-8,14,17,20H,4-5,9-10H2,1-3H3/t14-,17+/m1/s1
InChIKeyAVHALKCGOSAZLK-PBHICJAKSA-N
XLogP2.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone with MolForge

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Related Compounds

[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 70768563
piperidin-1-yl-(2,6,8-trimethylquinolin-4-yl)methanone
CID 46291566
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-cyclopropyl-6,8-dimethylquinolin-4-yl)methanone;dihydrochloride
CID 120656910
[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
CID 70782397
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 43594569
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 66128842
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone;dihydrochloride
CID 154899877
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3,4-dimethylphenyl)methanone
CID 43594813
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 133126161
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-naphthalen-1-ylmethanone
CID 43594720
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(5-methylfuran-3-yl)methanone
CID 104978989
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 43594628

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone?
The IUPAC name of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone (CID 133120312) is [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone.
What is the SMILES notation for [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone?
The canonical SMILES for [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone is Cc1cc(C)c2nc(C)cc(C(=O)N3CC[C@@H]4CNC[C@@H]43)c2c1.
What is the InChIKey of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone?
The InChIKey is AVHALKCGOSAZLK-PBHICJAKSA-N. The full InChI is InChI=1S/C19H23N3O/c1-11-6-12(2)18-15(7-11)16(8-13(3)21-18)19(23)22-5-4-14-9-20-10-17(14)22/h6-8,14,17,20H,4-5,9-10H2,1-3H3/t14-,17+/m1/s1.
What are the key properties of [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone?
[(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone has a molecular weight of 309.41 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aR)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,6,8-trimethylquinolin-4-yl)methanone is sourced from PubChem (CID 133120312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).