1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine

C20H21FN4 — CID 111232803

IUPAC1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(F)cc1)NCc1cccc2cccnc12
InChIInChI=1S/C20H21FN4/c1-2-22-20(24-13-15-8-10-18(21)11-9-15)25-14-17-6-3-5-16-7-4-12-23-19(16)17/h3-12H,2,13-14H2,1H3,(H2,22,24,25)
InChIKeyHSMFOGVTLYTPHP-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.63
Rot. Bonds5

About 1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine

1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine (PubChem CID 111232803) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine
PubChem CID111232803
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(F)cc1)NCc1cccc2cccnc12
InChIInChI=1S/C20H21FN4/c1-2-22-20(24-13-15-8-10-18(21)11-9-15)25-14-17-6-3-5-16-7-4-12-23-19(16)17/h3-12H,2,13-14H2,1H3,(H2,22,24,25)
InChIKeyHSMFOGVTLYTPHP-UHFFFAOYSA-N
XLogP3.63
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-2-[(4-methoxyphenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111184117
1-ethyl-3-[(2-fluorophenyl)methyl]-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111266314
1-ethyl-2-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 109444634
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111233519
1-ethyl-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-2-(quinolin-8-ylmethyl)guanidine
CID 111851948
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111232793
1-[(2,3-dimethoxyphenyl)methyl]-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111231252
1-ethyl-3-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-(quinolin-8-ylmethyl)guanidine
CID 111972506
1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111891520
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 111901821
1-[(2,5-difluorophenyl)methyl]-3-ethyl-2-[(4-fluorophenyl)methyl]guanidine;hydroiodide
CID 111782883
1-ethyl-3-[(2-methoxy-3-pyridinyl)methyl]-2-[(4-methylphenyl)methyl]guanidine
CID 111243377

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine (CID 111232803) is 1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine is CCN/C(=N\Cc1ccc(F)cc1)NCc1cccc2cccnc12.
What is the InChIKey of 1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine?
The InChIKey is HSMFOGVTLYTPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-2-22-20(24-13-15-8-10-18(21)11-9-15)25-14-17-6-3-5-16-7-4-12-23-19(16)17/h3-12H,2,13-14H2,1H3,(H2,22,24,25).
What are the key properties of 1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine?
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine has a molecular weight of 336.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine is sourced from PubChem (CID 111232803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).