1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide

C20H31IN6O — CID 111187072

IUPAC1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCN1CCOCC1)NCCNc1ccc2ccccc2n1.I
InChIInChI=1S/C20H30N6O.HI/c1-2-21-20(24-11-12-26-13-15-27-16-14-26)23-10-9-22-19-8-7-17-5-3-4-6-18(17)25-19;/h3-8H,2,9-16H2,1H3,(H,22,25)(H2,21,23,24);1H
InChIKeyPNKNPGXWBYZWSR-UHFFFAOYSA-N
MW498.41 g/mol
LogP2.15
Rot. Bonds8

About 1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide

1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide (PubChem CID 111187072) has the molecular formula C20H31IN6O and a molecular weight of 498.41 g/mol. Its IUPAC name is 1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
PubChem CID111187072
Molecular FormulaC20H31IN6O
Molecular Weight498.41 g/mol
Exact Mass498.16
IUPAC Name1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
SMILESCCN/C(=N\CCN1CCOCC1)NCCNc1ccc2ccccc2n1.I
InChIInChI=1S/C20H30N6O.HI/c1-2-21-20(24-11-12-26-13-15-27-16-14-26)23-10-9-22-19-8-7-17-5-3-4-6-18(17)25-19;/h3-8H,2,9-16H2,1H3,(H,22,25)(H2,21,23,24);1H
InChIKeyPNKNPGXWBYZWSR-UHFFFAOYSA-N
XLogP2.15
TPSA73.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.41
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111313175
2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 111079547
1-ethyl-2-(3-pyrazol-1-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111904492
1,3-diethyl-2-[2-(quinolin-2-ylamino)ethyl]guanidine
CID 110926423
1-ethyl-2-(4-methylsulfanylbutyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111626337
1-ethyl-3-[2-(quinolin-2-ylamino)ethyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111257215
1-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111705388
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111605332
N-tert-butyl-2-[[ethylamino-[2-(quinolin-2-ylamino)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 111382928
2-benzyl-1-ethyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 110953547
N-[2-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide
CID 111187375
1-ethyl-3-(3-morpholin-4-ylpropyl)-2-(3-phenylpropyl)guanidine
CID 110972271

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide (CID 111187072) is 1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide is CCN/C(=N\CCN1CCOCC1)NCCNc1ccc2ccccc2n1.I.
What is the InChIKey of 1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide?
The InChIKey is PNKNPGXWBYZWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O.HI/c1-2-21-20(24-11-12-26-13-15-27-16-14-26)23-10-9-22-19-8-7-17-5-3-4-6-18(17)25-19;/h3-8H,2,9-16H2,1H3,(H,22,25)(H2,21,23,24);1H.
What are the key properties of 1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide?
1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide has a molecular weight of 498.41 g/mol, XLogP of 2.15, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111187072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).