N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

C18H26IN5 — CID 119139135

IUPACN-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cc(N(C)C)nc2ccccc12)N1CCCC1.I
InChIInChI=1S/C18H25N5.HI/c1-19-18(23-10-6-7-11-23)20-13-14-12-17(22(2)3)21-16-9-5-4-8-15(14)16;/h4-5,8-9,12H,6-7,10-11,13H2,1-3H3,(H,19,20);1H
InChIKeyQDVMNXZZVPOKFY-UHFFFAOYSA-N
MW439.35 g/mol
LogP3.09
Rot. Bonds3

About N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119139135) has the molecular formula C18H26IN5 and a molecular weight of 439.35 g/mol. Its IUPAC name is N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119139135
Molecular FormulaC18H26IN5
Molecular Weight439.35 g/mol
Exact Mass439.12
IUPAC NameN-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cc(N(C)C)nc2ccccc12)N1CCCC1.I
InChIInChI=1S/C18H25N5.HI/c1-19-18(23-10-6-7-11-23)20-13-14-12-17(22(2)3)21-16-9-5-4-8-15(14)16;/h4-5,8-9,12H,6-7,10-11,13H2,1-3H3,(H,19,20);1H
InChIKeyQDVMNXZZVPOKFY-UHFFFAOYSA-N
XLogP3.09
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111776403
1-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004545
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 71867527
ethyl 4-[[N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111775138
1-(2-cyanocyclopentyl)-3-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 119157221
1-[5-(diethylamino)pentan-2-yl]-3-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111771393
4-[(cyclopropylamino)methyl]-N,N-dimethylquinolin-2-amine
CID 62279811
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71869690
N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111822317
4-benzyl-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 110959584
(2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide
CID 96539251
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
CID 71989359

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (CID 119139135) is N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1cc(N(C)C)nc2ccccc12)N1CCCC1.I.
What is the InChIKey of N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is QDVMNXZZVPOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5.HI/c1-19-18(23-10-6-7-11-23)20-13-14-12-17(22(2)3)21-16-9-5-4-8-15(14)16;/h4-5,8-9,12H,6-7,10-11,13H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 439.35 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119139135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).