N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C18H22N4O — CID 118780526

IUPACN-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc2c(NC(=O)N3CCN4CCCC4C3)cccc2n1
InChIInChI=1S/C18H22N4O/c1-13-7-8-15-16(19-13)5-2-6-17(15)20-18(23)22-11-10-21-9-3-4-14(21)12-22/h2,5-8,14H,3-4,9-12H2,1H3,(H,20,23)
InChIKeyOKYMAYKARZQTPM-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.86
Rot. Bonds1

About N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 118780526) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID118780526
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCc1ccc2c(NC(=O)N3CCN4CCCC4C3)cccc2n1
InChIInChI=1S/C18H22N4O/c1-13-7-8-15-16(19-13)5-2-6-17(15)20-18(23)22-11-10-21-9-3-4-14(21)12-22/h2,5-8,14H,3-4,9-12H2,1H3,(H,20,23)
InChIKeyOKYMAYKARZQTPM-UHFFFAOYSA-N
XLogP2.86
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
(3R)-N-(2-methylquinolin-5-yl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 125164615
3-N,3-N-dimethyl-5-N-(2-methylquinolin-5-yl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 134127279
(8aS)-N-[2-(cyclopropylmethoxy)phenyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 164642524
N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513237
N-(3-chloro-2-methylphenyl)-3-(4-phenylpiperazin-1-yl)piperidine-1-carboxamide
CID 45245976
(9aS)-N-(2-propan-2-ylphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 72846677
(2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
CID 125161337
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
N-(2-methylphenyl)-3-piperidin-1-ylazetidine-1-carboxamide
CID 23140153
(2R)-N-(2-methylquinolin-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125174117
N-(5-chloro-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 20920182

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 118780526) is N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is Cc1ccc2c(NC(=O)N3CCN4CCCC4C3)cccc2n1.
What is the InChIKey of N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is OKYMAYKARZQTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-13-7-8-15-16(19-13)5-2-6-17(15)20-18(23)22-11-10-21-9-3-4-14(21)12-22/h2,5-8,14H,3-4,9-12H2,1H3,(H,20,23).
What are the key properties of N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-5-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 118780526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).