3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C20H26N4O — CID 86947753

IUPAC3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC1CN2CCCC2CN1C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C20H26N4O/c1-15-13-23-12-4-8-18(23)14-24(15)20(25)22-11-9-17-6-2-5-16-7-3-10-21-19(16)17/h2-3,5-7,10,15,18H,4,8-9,11-14H2,1H3,(H,22,25)
InChIKeyIZTHJPBXQQQSAK-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.66
Rot. Bonds3

About 3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 86947753) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID86947753
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCC1CN2CCCC2CN1C(=O)NCCc1cccc2cccnc12
InChIInChI=1S/C20H26N4O/c1-15-13-23-12-4-8-18(23)14-24(15)20(25)22-11-9-17-6-2-5-16-7-3-10-21-19(16)17/h2-3,5-7,10,15,18H,4,8-9,11-14H2,1H3,(H,22,25)
InChIKeyIZTHJPBXQQQSAK-UHFFFAOYSA-N
XLogP2.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

1-methylsulfonyl-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 53498297
2-[3-(dimethylamino)piperidin-1-yl]-N-(2-quinolin-8-ylethyl)acetamide
CID 138999931
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
N-(2-quinolin-8-ylethyl)cyclohexanecarboxamide
CID 18149258
8-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)quinoline
CID 78945122
2-(4-methylcyclohexylidene)-N-(2-quinolin-8-ylethyl)acetamide
CID 86952686
(2R)-2-amino-N-(2-quinolin-8-ylethyl)propanamide
CID 78983595
(2S)-N-(2-quinolin-8-ylethyl)pyrrolidine-2-carboxamide
CID 81428574
3-(2-methylpiperidin-1-yl)sulfonyl-N-(2-quinolin-8-ylethyl)benzamide
CID 78836589
(3-hydroxy-2-pyridinyl)-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 79934857
(E)-N-(2-quinolin-8-ylethyl)but-2-enamide
CID 112723855
1-[1-(2-methylpropyl)piperidin-4-yl]-3-(2-quinolin-8-ylethyl)urea
CID 51117990

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of 3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 86947753) is 3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CC1CN2CCCC2CN1C(=O)NCCc1cccc2cccnc12.
What is the InChIKey of 3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is IZTHJPBXQQQSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-13-23-12-4-8-18(23)14-24(15)20(25)22-11-9-17-6-2-5-16-7-3-10-21-19(16)17/h2-3,5-7,10,15,18H,4,8-9,11-14H2,1H3,(H,22,25).
What are the key properties of 3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-quinolin-8-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 86947753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).