8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline

C16H19N3O2S — CID 22202524

IUPAC8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN2CCCC2C1
InChIInChI=1S/C16H19N3O2S/c20-22(21,19-11-10-18-9-3-6-14(18)12-19)15-7-1-4-13-5-2-8-17-16(13)15/h1-2,4-5,7-8,14H,3,6,9-12H2
InChIKeyIAFPBCBORIIMPW-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.70
Rot. Bonds2

About 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline

8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline (PubChem CID 22202524) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline.

Molecular Properties

Compound Name8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
PubChem CID22202524
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline
SMILESO=S(=O)(c1cccc2cccnc12)N1CCN2CCCC2C1
InChIInChI=1S/C16H19N3O2S/c20-22(21,19-11-10-18-9-3-6-14(18)12-19)15-7-1-4-13-5-2-8-17-16(13)15/h1-2,4-5,7-8,14H,3,6,9-12H2
InChIKeyIAFPBCBORIIMPW-UHFFFAOYSA-N
XLogP1.70
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
CID 131703897
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
8-piperidin-1-ylsulfonylquinoline
CID 768759
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)benzoic acid
CID 60952156
N-methyl-1-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanamine
CID 119960917
8-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]sulfonylquinoline
CID 121188658
3-[(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991977
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
N-methyl-1-(1-quinolin-8-ylsulfonylpyrrolidin-3-yl)methanamine
CID 119977492
ethyl 1-quinolin-8-ylsulfonylpiperidine-3-carboxylate
CID 2917197
8-(3-pyrazin-2-yloxypiperidin-1-yl)sulfonylquinoline
CID 91627937

Frequently Asked Questions

What is the IUPAC name of 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline?
The IUPAC name of 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline (CID 22202524) is 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline.
What is the SMILES notation for 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline?
The canonical SMILES for 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline is O=S(=O)(c1cccc2cccnc12)N1CCN2CCCC2C1.
What is the InChIKey of 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline?
The InChIKey is IAFPBCBORIIMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c20-22(21,19-11-10-18-9-3-6-14(18)12-19)15-7-1-4-13-5-2-8-17-16(13)15/h1-2,4-5,7-8,14H,3,6,9-12H2.
What are the key properties of 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline?
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline has a molecular weight of 317.41 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylsulfonyl)quinoline is sourced from PubChem (CID 22202524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).