N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

C19H28IN5 — CID 111822317

IUPACN'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/Cc2cc(N(C)C)nc3ccccc23)C1.I
InChIInChI=1S/C19H27N5.HI/c1-14-7-6-10-24(13-14)19(20)21-12-15-11-18(23(2)3)22-17-9-5-4-8-16(15)17;/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3,(H2,20,21);1H
InChIKeyUWOBTUVZMRMVDX-UHFFFAOYSA-N
MW453.37 g/mol
LogP3.47
Rot. Bonds3

About N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide

N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 111822317) has the molecular formula C19H28IN5 and a molecular weight of 453.37 g/mol. Its IUPAC name is N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
PubChem CID111822317
Molecular FormulaC19H28IN5
Molecular Weight453.37 g/mol
Exact Mass453.14
IUPAC NameN'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
SMILESCC1CCCN(/C(N)=N/Cc2cc(N(C)C)nc3ccccc23)C1.I
InChIInChI=1S/C19H27N5.HI/c1-14-7-6-10-24(13-14)19(20)21-12-15-11-18(23(2)3)22-17-9-5-4-8-16(15)17;/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3,(H2,20,21);1H
InChIKeyUWOBTUVZMRMVDX-UHFFFAOYSA-N
XLogP3.47
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.37
LogP ≤ 53.47
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'}

Analyze N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 119148427
tert-butyl 4-[N'-[[2-(dimethylamino)quinolin-4-yl]methyl]carbamimidoyl]piperazine-1-carboxylate
CID 111822347
N'-[[2-(diethylaminomethyl)phenyl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111036311
N'-[(2,4-dimethylphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111051628
3-methyl-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111038144
3-methyl-N'-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide
CID 111031676
N'-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111053491
3-methyl-N'-[[2-(methylsulfonylmethyl)phenyl]methyl]piperidine-1-carboximidamide
CID 86778441
N'-[(2-ethoxyphenyl)methyl]-3-methylpiperidine-1-carboximidamide
CID 111044308
3-methyl-N'-[2-(N-methylanilino)ethyl]piperidine-1-carboximidamide
CID 111037466
N'-[(2-bromo-5-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111045773
N'-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-3-methylpiperidine-1-carboximidamide
CID 119147378

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide (CID 111822317) is N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide is CC1CCCN(/C(N)=N/Cc2cc(N(C)C)nc3ccccc23)C1.I.
What is the InChIKey of N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is UWOBTUVZMRMVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5.HI/c1-14-7-6-10-24(13-14)19(20)21-12-15-11-18(23(2)3)22-17-9-5-4-8-16(15)17;/h4-5,8-9,11,14H,6-7,10,12-13H2,1-3H3,(H2,20,21);1H.
What are the key properties of N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide?
N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 453.37 g/mol, XLogP of 3.47, 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]-3-methylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111822317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).