1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide

C20H27IN4 — CID 111087689

IUPAC1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
SMILESCc1cc(C)cc(N/C(N)=N/Cc2ccc3c(c2)CCCN3C)c1.I
InChIInChI=1S/C20H26N4.HI/c1-14-9-15(2)11-18(10-14)23-20(21)22-13-16-6-7-19-17(12-16)5-4-8-24(19)3;/h6-7,9-12H,4-5,8,13H2,1-3H3,(H3,21,22,23);1H
InChIKeyRWMPEBIGYMFNCR-UHFFFAOYSA-N
MW450.37 g/mol
LogP4.23
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide

1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide (PubChem CID 111087689) has the molecular formula C20H27IN4 and a molecular weight of 450.37 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
PubChem CID111087689
Molecular FormulaC20H27IN4
Molecular Weight450.37 g/mol
Exact Mass450.13
IUPAC Name1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
SMILESCc1cc(C)cc(N/C(N)=N/Cc2ccc3c(c2)CCCN3C)c1.I
InChIInChI=1S/C20H26N4.HI/c1-14-9-15(2)11-18(10-14)23-20(21)22-13-16-6-7-19-17(12-16)5-4-8-24(19)3;/h6-7,9-12H,4-5,8,13H2,1-3H3,(H3,21,22,23);1H
InChIKeyRWMPEBIGYMFNCR-UHFFFAOYSA-N
XLogP4.23
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]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-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3,5-dimethylphenyl)guanidine
CID 111071214
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 110916631
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
CID 111087745
1-(3-chloro-4-methoxyphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide
CID 111087741
1-(3,5-dimethylphenyl)-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111047229
N'-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111087751
1-(3,5-dimethylphenyl)-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]guanidine
CID 111035308
2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(3-methylphenyl)guanidine;hydroiodide
CID 111071201
2-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)guanidine;hydroiodide
CID 111022755
1-(3,5-dimethylphenyl)-2-[(4-hydroxyphenyl)methyl]guanidine
CID 111042013
1-(3,5-dimethylphenyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 75424535
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine
CID 111087736

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide (CID 111087689) is 1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide is Cc1cc(C)cc(N/C(N)=N/Cc2ccc3c(c2)CCCN3C)c1.I.
What is the InChIKey of 1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide?
The InChIKey is RWMPEBIGYMFNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4.HI/c1-14-9-15(2)11-18(10-14)23-20(21)22-13-16-6-7-19-17(12-16)5-4-8-24(19)3;/h6-7,9-12H,4-5,8,13H2,1-3H3,(H3,21,22,23);1H.
What are the key properties of 1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide?
1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide has a molecular weight of 450.37 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111087689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).