1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine

C23H28N4O — CID 109408458

IUPAC1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine
SMILESCCN/C(=N\CC(CO)c1ccccc1)NCCc1cccc2cccnc12
InChIInChI=1S/C23H28N4O/c1-2-24-23(27-16-21(17-28)18-8-4-3-5-9-18)26-15-13-20-11-6-10-19-12-7-14-25-22(19)20/h3-12,14,21,28H,2,13,15-17H2,1H3,(H2,24,26,27)
InChIKeyPPNGVRWDJPNFFD-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.11
Rot. Bonds8

About 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine

1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine (PubChem CID 109408458) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine
PubChem CID109408458
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine
SMILESCCN/C(=N\CC(CO)c1ccccc1)NCCc1cccc2cccnc12
InChIInChI=1S/C23H28N4O/c1-2-24-23(27-16-21(17-28)18-8-4-3-5-9-18)26-15-13-20-11-6-10-19-12-7-14-25-22(19)20/h3-12,14,21,28H,2,13,15-17H2,1H3,(H2,24,26,27)
InChIKeyPPNGVRWDJPNFFD-UHFFFAOYSA-N
XLogP3.11
TPSA69.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(3-hydroxy-2-phenylpropyl)guanidine
CID 109408486
1-ethyl-2-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine
CID 111359484
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 109411022
2-(2,2-diethyl-4-hydroxybutyl)-1-ethyl-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111716507
1-ethyl-3-[2-(2-methoxyphenyl)ethyl]-2-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111339350
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3-phenylpropyl)guanidine
CID 109410705
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3-methylbutyl)guanidine
CID 109409009
1-ethyl-2-[3-(2-methylpropoxy)propyl]-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111401038
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109407885
1-[2-(4-chlorophenyl)ethyl]-3-ethyl-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109411062
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-(2-quinolin-8-ylethyl)guanidine
CID 109429295
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-ethyl-2-(3-hydroxy-2-phenylpropyl)guanidine
CID 109411003

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine?
The IUPAC name of 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine (CID 109408458) is 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine?
The canonical SMILES for 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine is CCN/C(=N\CC(CO)c1ccccc1)NCCc1cccc2cccnc12.
What is the InChIKey of 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine?
The InChIKey is PPNGVRWDJPNFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-2-24-23(27-16-21(17-28)18-8-4-3-5-9-18)26-15-13-20-11-6-10-19-12-7-14-25-22(19)20/h3-12,14,21,28H,2,13,15-17H2,1H3,(H2,24,26,27).
What are the key properties of 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine?
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine has a molecular weight of 376.50 g/mol, XLogP of 3.11, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-quinolin-8-ylethyl)guanidine is sourced from PubChem (CID 109408458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).