1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine

C22H33N5 — CID 111370871

IUPAC1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccc2cccnc12)NCCCN1CCCCC1C
InChIInChI=1S/C22H33N5/c1-3-23-22(25-14-8-16-27-15-5-4-9-18(27)2)26-17-20-11-6-10-19-12-7-13-24-21(19)20/h6-7,10-13,18H,3-5,8-9,14-17H2,1-2H3,(H2,23,25,26)
InChIKeyQLXOWAFWZJOFFE-UHFFFAOYSA-N
MW367.54 g/mol
LogP3.55
Rot. Bonds7

About 1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine

1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine (PubChem CID 111370871) has the molecular formula C22H33N5 and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine
PubChem CID111370871
Molecular FormulaC22H33N5
Molecular Weight367.54 g/mol
Exact Mass367.27
IUPAC Name1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccc2cccnc12)NCCCN1CCCCC1C
InChIInChI=1S/C22H33N5/c1-3-23-22(25-14-8-16-27-15-5-4-9-18(27)2)26-17-20-11-6-10-19-12-7-13-24-21(19)20/h6-7,10-13,18H,3-5,8-9,14-17H2,1-2H3,(H2,23,25,26)
InChIKeyQLXOWAFWZJOFFE-UHFFFAOYSA-N
XLogP3.55
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111370938
1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-4-ylmethyl)guanidine
CID 111969013
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370453
1-(3-ethoxypropyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111224230
2-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111797034
2-[(3-cyanophenyl)methyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111371321
1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111839222
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111370323
1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine
CID 111963065
1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine
CID 111896417
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 111231769
2-[(4-cyano-2-fluorophenyl)methyl]-1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine
CID 111767263

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine (CID 111370871) is 1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine is CCN/C(=N\Cc1cccc2cccnc12)NCCCN1CCCCC1C.
What is the InChIKey of 1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine?
The InChIKey is QLXOWAFWZJOFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5/c1-3-23-22(25-14-8-16-27-15-5-4-9-18(27)2)26-17-20-11-6-10-19-12-7-13-24-21(19)20/h6-7,10-13,18H,3-5,8-9,14-17H2,1-2H3,(H2,23,25,26).
What are the key properties of 1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine?
1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine has a molecular weight of 367.54 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(2-methylpiperidin-1-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine is sourced from PubChem (CID 111370871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).