4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide

C23H28IN5O — CID 111186227

IUPAC4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCc1cccc2cccnc12)N1CCN(c2ccccc2O)CC1.I
InChIInChI=1S/C23H27N5O.HI/c1-24-23(26-13-11-19-7-4-6-18-8-5-12-25-22(18)19)28-16-14-27(15-17-28)20-9-2-3-10-21(20)29;/h2-10,12,29H,11,13-17H2,1H3,(H,24,26);1H
InChIKeyURTRLZFXVSFPJI-UHFFFAOYSA-N
MW517.42 g/mol
LogP3.50
Rot. Bonds4

About 4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide

4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111186227) has the molecular formula C23H28IN5O and a molecular weight of 517.42 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111186227
Molecular FormulaC23H28IN5O
Molecular Weight517.42 g/mol
Exact Mass517.13
IUPAC Name4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCc1cccc2cccnc12)N1CCN(c2ccccc2O)CC1.I
InChIInChI=1S/C23H27N5O.HI/c1-24-23(26-13-11-19-7-4-6-18-8-5-12-25-22(18)19)28-16-14-27(15-17-28)20-9-2-3-10-21(20)29;/h2-10,12,29H,11,13-17H2,1H3,(H,24,26);1H
InChIKeyURTRLZFXVSFPJI-UHFFFAOYSA-N
XLogP3.50
TPSA63.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.42
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-methyl-4-pyrimidin-2-yl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
CID 111207422
N-[2-(1-benzylimidazol-2-yl)ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184809
4-[(2,5-dimethoxyphenyl)methyl]-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide
CID 111303456
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184191
4-(2-hydroxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184637
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111184853
4-(2-hydroxyphenyl)-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111184689
4-(2-hydroxyphenyl)-N'-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide
CID 111186234
N-butyl-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111184772
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
CID 109434935
4-(2-hydroxyphenyl)-N'-methyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 111185396
4-(2-hydroxyphenyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111185932

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide (CID 111186227) is 4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide is C/N=C(/NCCc1cccc2cccnc12)N1CCN(c2ccccc2O)CC1.I.
What is the InChIKey of 4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is URTRLZFXVSFPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O.HI/c1-24-23(26-13-11-19-7-4-6-18-8-5-12-25-22(18)19)28-16-14-27(15-17-28)20-9-2-3-10-21(20)29;/h2-10,12,29H,11,13-17H2,1H3,(H,24,26);1H.
What are the key properties of 4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide?
4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 517.42 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-N'-methyl-N-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111186227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).