2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide

C16H25IN4O2 — CID 111057765

IUPAC2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
SMILESCCCC/N=C(\N)NCCOc1ccc2c(c1)CCC(=O)N2.I
InChIInChI=1S/C16H24N4O2.HI/c1-2-3-8-18-16(17)19-9-10-22-13-5-6-14-12(11-13)4-7-15(21)20-14;/h5-6,11H,2-4,7-10H2,1H3,(H,20,21)(H3,17,18,19);1H
InChIKeyLRJYZNBQUKEQRZ-UHFFFAOYSA-N
MW432.31 g/mol
LogP2.27
Rot. Bonds7

About 2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide

2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide (PubChem CID 111057765) has the molecular formula C16H25IN4O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is 2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
PubChem CID111057765
Molecular FormulaC16H25IN4O2
Molecular Weight432.31 g/mol
Exact Mass432.10
IUPAC Name2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
SMILESCCCC/N=C(\N)NCCOc1ccc2c(c1)CCC(=O)N2.I
InChIInChI=1S/C16H24N4O2.HI/c1-2-3-8-18-16(17)19-9-10-22-13-5-6-14-12(11-13)4-7-15(21)20-14;/h5-6,11H,2-4,7-10H2,1H3,(H,20,21)(H3,17,18,19);1H
InChIKeyLRJYZNBQUKEQRZ-UHFFFAOYSA-N
XLogP2.27
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 52.27
H-Bond Donors ≤ 53
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine
CID 111057766
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
6-pentoxy-3,4-dihydro-1H-quinolin-2-one
CID 42598028
2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-propan-2-ylguanidine
CID 111057784
1-ethyl-2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-3-(2-phenoxyethyl)guanidine
CID 111004911
2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
CID 111279596
1-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-butylguanidine;hydroiodide
CID 111072004
2-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111057794
2-methyl-1-(5-methylhexan-2-yl)-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine
CID 111204252
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
CID 111182136
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide
CID 111230362
1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine
CID 111193054

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide?
The IUPAC name of 2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide (CID 111057765) is 2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide is CCCC/N=C(\N)NCCOc1ccc2c(c1)CCC(=O)N2.I.
What is the InChIKey of 2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide?
The InChIKey is LRJYZNBQUKEQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.HI/c1-2-3-8-18-16(17)19-9-10-22-13-5-6-14-12(11-13)4-7-15(21)20-14;/h5-6,11H,2-4,7-10H2,1H3,(H,20,21)(H3,17,18,19);1H.
What are the key properties of 2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide?
2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide has a molecular weight of 432.31 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111057765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).