1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine

C23H25N5 — CID 111341753

IUPAC1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine
SMILESC/N=C(\NCCCn1ccc2ccccc21)NCc1cccc2cccnc12
InChIInChI=1S/C23H25N5/c1-24-23(27-17-20-9-4-8-19-10-5-13-25-22(19)20)26-14-6-15-28-16-12-18-7-2-3-11-21(18)28/h2-5,7-13,16H,6,14-15,17H2,1H3,(H2,24,26,27)
InChIKeyUKOVALPHUFAEJG-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.94
Rot. Bonds6

About 1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine

1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine (PubChem CID 111341753) has the molecular formula C23H25N5 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine
PubChem CID111341753
Molecular FormulaC23H25N5
Molecular Weight371.49 g/mol
Exact Mass371.21
IUPAC Name1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine
SMILESC/N=C(\NCCCn1ccc2ccccc21)NCc1cccc2cccnc12
InChIInChI=1S/C23H25N5/c1-24-23(27-17-20-9-4-8-19-10-5-13-25-22(19)20)26-14-6-15-28-16-12-18-7-2-3-11-21(18)28/h2-5,7-13,16H,6,14-15,17H2,1H3,(H2,24,26,27)
InChIKeyUKOVALPHUFAEJG-UHFFFAOYSA-N
XLogP3.94
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.94
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

1-(3-indol-1-ylpropyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111341096
1-(3-indol-1-ylpropyl)-2-methyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]guanidine
CID 111341807
1-[3-(azepan-1-yl)propyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111324409
1-benzyl-3-(3-indol-1-ylpropyl)-2-methylguanidine;hydroiodide
CID 110953617
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 111278023
1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111226439
1-(3-indol-1-ylpropyl)-2-methyl-3-(2-pyrazol-1-ylethyl)guanidine
CID 111342033
1-(3-indol-1-ylpropyl)-2-methyl-3-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111341640
1-(3-indol-1-ylpropyl)-2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111516391
1-(3-indol-1-ylpropyl)-2-methyl-3-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]guanidine
CID 111341959
1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341203
1-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-2-methylguanidine
CID 110941078

Frequently Asked Questions

What is the IUPAC name of 1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
The IUPAC name of 1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine (CID 111341753) is 1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine.
What is the SMILES notation for 1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
The canonical SMILES for 1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine is C/N=C(\NCCCn1ccc2ccccc21)NCc1cccc2cccnc12.
What is the InChIKey of 1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
The InChIKey is UKOVALPHUFAEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5/c1-24-23(27-17-20-9-4-8-19-10-5-13-25-22(19)20)26-14-6-15-28-16-12-18-7-2-3-11-21(18)28/h2-5,7-13,16H,6,14-15,17H2,1H3,(H2,24,26,27).
What are the key properties of 1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine has a molecular weight of 371.49 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-indol-1-ylpropyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine is sourced from PubChem (CID 111341753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).