N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide

C22H24N4 — CID 111722699

IUPACN'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCc1cccc2cccnc12)N1CCC(c2ccccc2)C1
InChIInChI=1S/C22H24N4/c1-23-22(26-14-12-20(16-26)17-7-3-2-4-8-17)25-15-19-10-5-9-18-11-6-13-24-21(18)19/h2-11,13,20H,12,14-16H2,1H3,(H,23,25)
InChIKeyANMWBRRVGBFOME-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.80
Rot. Bonds3

About N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide

N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide (PubChem CID 111722699) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide
PubChem CID111722699
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC NameN'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCc1cccc2cccnc12)N1CCC(c2ccccc2)C1
InChIInChI=1S/C22H24N4/c1-23-22(26-14-12-20(16-26)17-7-3-2-4-8-17)25-15-19-10-5-9-18-11-6-13-24-21(18)19/h2-11,13,20H,12,14-16H2,1H3,(H,23,25)
InChIKeyANMWBRRVGBFOME-UHFFFAOYSA-N
XLogP3.80
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.80
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'-methyl-3-(1-methylpyrazol-4-yl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide
CID 111740512
N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide
CID 111144050
N',3-dimethyl-N-(quinolin-8-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 111144049
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111723511
N-[[2-(methoxymethyl)phenyl]methyl]-N'-methyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723934
2-ethyl-N'-methyl-N-(quinolin-8-ylmethyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 109484767
N-ethyl-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111722745
ethyl 1-[N'-methyl-N-(quinolin-8-ylmethyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155211
N'-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111723138
N'-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]pyrrolidine-1-carboximidamide
CID 111724285
N'-methyl-3-phenyl-N-prop-2-enylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722886
N'-methyl-3-phenyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111722748

Frequently Asked Questions

What is the IUPAC name of N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide (CID 111722699) is N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide is C/N=C(/NCc1cccc2cccnc12)N1CCC(c2ccccc2)C1.
What is the InChIKey of N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide?
The InChIKey is ANMWBRRVGBFOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-23-22(26-14-12-20(16-26)17-7-3-2-4-8-17)25-15-19-10-5-9-18-11-6-13-24-21(18)19/h2-11,13,20H,12,14-16H2,1H3,(H,23,25).
What are the key properties of N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide?
N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide has a molecular weight of 344.46 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-3-phenyl-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111722699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).