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

C17H21N3 — CID 78945122

IUPAC8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
SMILESc1cnc2c(CN3CCN4CCCC4C3)cccc2c1
InChIInChI=1S/C17H21N3/c1-4-14-6-2-8-18-17(14)15(5-1)12-19-10-11-20-9-3-7-16(20)13-19/h1-2,4-6,8,16H,3,7,9-13H2
InChIKeySKRBPPUSKTUZQO-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.51
Rot. Bonds2

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

8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline (PubChem CID 78945122) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline.

Molecular Properties

Compound Name8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
PubChem CID78945122
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
SMILESc1cnc2c(CN3CCN4CCCC4C3)cccc2c1
InChIInChI=1S/C17H21N3/c1-4-14-6-2-8-18-17(14)15(5-1)12-19-10-11-20-9-3-7-16(20)13-19/h1-2,4-6,8,16H,3,7,9-13H2
InChIKeySKRBPPUSKTUZQO-UHFFFAOYSA-N
XLogP2.51
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)pyridin-2-amine
CID 79945516
2-[(5-fluoroquinolin-8-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234559
1-(quinolin-8-ylmethyl)piperidine-3-carboxylic acid
CID 43440675
(9aS)-2-(naphthalen-1-ylmethyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 95053254
N-(quinolin-8-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112728504
1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanone
CID 63845455
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)pyridine-2-carboxylic acid
CID 63151802
N-methyl-1-[1-(quinolin-8-ylmethyl)piperidin-3-yl]ethanamine
CID 63854973
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-2-methylaniline
CID 79941262
3-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]pyridin-2-amine
CID 55157982
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)pyridine-2-carboximidamide
CID 79932125

Frequently Asked Questions

What is the IUPAC name of 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline?
The IUPAC name of 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline (CID 78945122) is 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline.
What is the SMILES notation for 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline?
The canonical SMILES for 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline is c1cnc2c(CN3CCN4CCCC4C3)cccc2c1.
What is the InChIKey of 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline?
The InChIKey is SKRBPPUSKTUZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-4-14-6-2-8-18-17(14)15(5-1)12-19-10-11-20-9-3-7-16(20)13-19/h1-2,4-6,8,16H,3,7,9-13H2.
What are the key properties of 8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline?
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline has a molecular weight of 267.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 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-ylmethyl)quinoline is sourced from PubChem (CID 78945122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).