2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride

C11H14ClN5 — CID 54602951

IUPAC2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride
SMILESCl.Cn1/c(=N/N=C(N)N)ccc2ccccc21
InChIInChI=1S/C11H13N5.ClH/c1-16-9-5-3-2-4-8(9)6-7-10(16)14-15-11(12)13;/h2-7H,1H3,(H4,12,13,15);1H/b14-10+;
InChIKeyPFKXCNCGUMNQKJ-KMZJGFRYSA-N
MW251.72 g/mol
LogP0.69
Rot. Bonds1

About 2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride

2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride (PubChem CID 54602951) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride
PubChem CID54602951
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride
SMILESCl.Cn1/c(=N/N=C(N)N)ccc2ccccc21
InChIInChI=1S/C11H13N5.ClH/c1-16-9-5-3-2-4-8(9)6-7-10(16)14-15-11(12)13;/h2-7H,1H3,(H4,12,13,15);1H/b14-10+;
InChIKeyPFKXCNCGUMNQKJ-KMZJGFRYSA-N
XLogP0.69
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride (CID 54602951) is 2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride is Cl.Cn1/c(=N/N=C(N)N)ccc2ccccc21.
What is the InChIKey of 2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride?
The InChIKey is PFKXCNCGUMNQKJ-KMZJGFRYSA-N. The full InChI is InChI=1S/C11H13N5.ClH/c1-16-9-5-3-2-4-8(9)6-7-10(16)14-15-11(12)13;/h2-7H,1H3,(H4,12,13,15);1H/b14-10+;.
What are the key properties of 2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride?
2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride has a molecular weight of 251.72 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(1-methylquinolin-2-ylidene)amino]guanidine;hydrochloride is sourced from PubChem (CID 54602951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).