N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide

C23H28IN5O2 — CID 111168126

IUPACN-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1cccc2cccnc12)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C23H27N5O2.HI/c1-2-24-23(26-12-10-19-7-3-6-18-8-4-11-25-21(18)19)28-15-13-27(14-16-28)22(29)20-9-5-17-30-20;/h3-9,11,17H,2,10,12-16H2,1H3,(H,24,26);1H
InChIKeyTWSAKRRDTRCUPX-UHFFFAOYSA-N
MW533.41 g/mol
LogP3.41
Rot. Bonds5

About N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide

N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 111168126) has the molecular formula C23H28IN5O2 and a molecular weight of 533.41 g/mol. Its IUPAC name is N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID111168126
Molecular FormulaC23H28IN5O2
Molecular Weight533.41 g/mol
Exact Mass533.13
IUPAC NameN-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1cccc2cccnc12)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C23H27N5O2.HI/c1-2-24-23(26-12-10-19-7-3-6-18-8-4-11-25-21(18)19)28-15-13-27(14-16-28)22(29)20-9-5-17-30-20;/h3-9,11,17H,2,10,12-16H2,1H3,(H,24,26);1H
InChIKeyTWSAKRRDTRCUPX-UHFFFAOYSA-N
XLogP3.41
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
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-ethyl-4-(furan-2-carbonyl)-N'-(2-naphthalen-1-ylethyl)piperazine-1-carboximidamide
CID 111168209
N-ethyl-N'-(2-quinolin-8-ylethyl)pyrrolidine-1-carboximidamide
CID 110956662
N-ethyl-4-pyrimidin-2-yl-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide
CID 111206292
N-ethyl-4-(furan-2-carbonyl)-N'-(2-pyridin-3-ylethyl)piperazine-1-carboximidamide
CID 111167753
N-ethyl-4-(furan-2-carbonyl)-N'-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 119130504
N-ethyl-4-(furan-2-carbonyl)-N'-[2-(3-hydroxyphenyl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111166424
N-ethyl-4-(furan-2-carbonyl)-N'-[(2-propoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166730
N'-[(2-butoxy-3-pyridinyl)methyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111168324
N-ethyl-4-(furan-2-carbonyl)-N'-(3-phenylpropyl)piperazine-1-carboximidamide
CID 111166833
N'-(3,3-dimethylbutyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111166082
N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide
CID 111166041
N-ethyl-4-(furan-2-carbonyl)-N'-(2-pyrazol-1-ylethyl)piperazine-1-carboximidamide
CID 111167297

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide (CID 111168126) is N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1cccc2cccnc12)N1CCN(C(=O)c2ccco2)CC1.I.
What is the InChIKey of N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is TWSAKRRDTRCUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2.HI/c1-2-24-23(26-12-10-19-7-3-6-18-8-4-11-25-21(18)19)28-15-13-27(14-16-28)22(29)20-9-5-17-30-20;/h3-9,11,17H,2,10,12-16H2,1H3,(H,24,26);1H.
What are the key properties of N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide?
N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 533.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(furan-2-carbonyl)-N'-(2-quinolin-8-ylethyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111168126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).