2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride

C15H19ClN4O — CID 118730515

IUPAC2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride
SMILESCl.N/C(=N\Cc1ccco1)Nc1ccc2c(n1)CCCC2
InChIInChI=1S/C15H18N4O.ClH/c16-15(17-10-12-5-3-9-20-12)19-14-8-7-11-4-1-2-6-13(11)18-14;/h3,5,7-9H,1-2,4,6,10H2,(H3,16,17,18,19);1H
InChIKeyQPPPYSGIWNXIMC-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.90
Rot. Bonds3

About 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride

2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride (PubChem CID 118730515) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride
PubChem CID118730515
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride
SMILESCl.N/C(=N\Cc1ccco1)Nc1ccc2c(n1)CCCC2
InChIInChI=1S/C15H18N4O.ClH/c16-15(17-10-12-5-3-9-20-12)19-14-8-7-11-4-1-2-6-13(11)18-14;/h3,5,7-9H,1-2,4,6,10H2,(H3,16,17,18,19);1H
InChIKeyQPPPYSGIWNXIMC-UHFFFAOYSA-N
XLogP2.90
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.90
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'}

Analyze 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride?
The IUPAC name of 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride (CID 118730515) is 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride.
What is the SMILES notation for 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride?
The canonical SMILES for 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride is Cl.N/C(=N\Cc1ccco1)Nc1ccc2c(n1)CCCC2.
What is the InChIKey of 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride?
The InChIKey is QPPPYSGIWNXIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.ClH/c16-15(17-10-12-5-3-9-20-12)19-14-8-7-11-4-1-2-6-13(11)18-14;/h3,5,7-9H,1-2,4,6,10H2,(H3,16,17,18,19);1H.
What are the key properties of 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride?
2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride has a molecular weight of 306.80 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethyl)-1-(5,6,7,8-tetrahydroquinolin-2-yl)guanidine;hydrochloride is sourced from PubChem (CID 118730515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).