N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide

C18H24N4 — CID 110956662

IUPACN-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCc1cccc2cccnc12)N1CCCC1
InChIInChI=1S/C18H24N4/c1-2-19-18(22-13-3-4-14-22)21-12-10-16-8-5-7-15-9-6-11-20-17(15)16/h5-9,11H,2-4,10,12-14H2,1H3,(H,19,21)
InChIKeyQSVWAQGNNHPTCN-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.84
Rot. Bonds4

About N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide

N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide (PubChem CID 110956662) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide
PubChem CID110956662
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide
SMILESCCN/C(=N\CCc1cccc2cccnc12)N1CCCC1
InChIInChI=1S/C18H24N4/c1-2-19-18(22-13-3-4-14-22)21-12-10-16-8-5-7-15-9-6-11-20-17(15)16/h5-9,11H,2-4,10,12-14H2,1H3,(H,19,21)
InChIKeyQSVWAQGNNHPTCN-UHFFFAOYSA-N
XLogP2.84
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
CID 111206292
N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111168126
tert-butyl N-[1-[N-ethyl-N'-(2-quinolin-8-ylethyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111729649
methyl 1-[N-ethyl-N'-(quinolin-8-ylmethyl)carbamimidoyl]piperidine-4-carboxylate
CID 111254367
methyl 1-[N-ethyl-N'-(quinolin-8-ylmethyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111254366
N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
CID 111207422
N-ethyl-N'-(2-naphthalen-2-ylethyl)pyrrolidine-1-carboximidamide
CID 110955638
1-ethyl-2-(2-quinolin-8-ylethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111914116
4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111186227
1-ethyl-3-(3-ethylsulfinylcyclohexyl)-2-(2-quinolin-8-ylethyl)guanidine
CID 109437949
N-ethyl-N'-(naphthalen-1-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111207780
N'-[2-(2-ethoxyphenyl)ethyl]-N-ethyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111207699

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide (CID 110956662) is N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide is CCN/C(=N\CCc1cccc2cccnc12)N1CCCC1.
What is the InChIKey of N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide?
The InChIKey is QSVWAQGNNHPTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-2-19-18(22-13-3-4-14-22)21-12-10-16-8-5-7-15-9-6-11-20-17(15)16/h5-9,11H,2-4,10,12-14H2,1H3,(H,19,21).
What are the key properties of N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide?
N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide has a molecular weight of 296.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 110956662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).