2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine

C13H17N5O — CID 504257

IUPAC2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
SMILESCOc1cc(NCCN=C(N)N)c2ncccc2c1
InChIInChI=1S/C13H17N5O/c1-19-10-7-9-3-2-4-17-12(9)11(8-10)16-5-6-18-13(14)15/h2-4,7-8,16H,5-6H2,1H3,(H4,14,15,18)
InChIKeyOHSPCWPLCKXBKQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.93
Rot. Bonds5

About 2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine

2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine (PubChem CID 504257) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
PubChem CID504257
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine
SMILESCOc1cc(NCCN=C(N)N)c2ncccc2c1
InChIInChI=1S/C13H17N5O/c1-19-10-7-9-3-2-4-17-12(9)11(8-10)16-5-6-18-13(14)15/h2-4,7-8,16H,5-6H2,1H3,(H4,14,15,18)
InChIKeyOHSPCWPLCKXBKQ-UHFFFAOYSA-N
XLogP0.93
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine?
The IUPAC name of 2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine (CID 504257) is 2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine?
The canonical SMILES for 2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine is COc1cc(NCCN=C(N)N)c2ncccc2c1.
What is the InChIKey of 2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine?
The InChIKey is OHSPCWPLCKXBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-19-10-7-9-3-2-4-17-12(9)11(8-10)16-5-6-18-13(14)15/h2-4,7-8,16H,5-6H2,1H3,(H4,14,15,18).
What are the key properties of 2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine?
2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine has a molecular weight of 259.31 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-methoxyquinolin-8-yl)amino]ethyl]guanidine is sourced from PubChem (CID 504257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).