2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide

C20H23IN4 — CID 111968660

IUPAC2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccc(C)cc1)NCc1ccnc2ccccc12.I
InChIInChI=1S/C20H22N4.HI/c1-15-7-9-16(10-8-15)13-23-20(21-2)24-14-17-11-12-22-19-6-4-3-5-18(17)19;/h3-12H,13-14H2,1-2H3,(H2,21,23,24);1H
InChIKeyMEJRDMYBUNWZIV-UHFFFAOYSA-N
MW446.34 g/mol
LogP4.03
Rot. Bonds4

About 2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide

2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide (PubChem CID 111968660) has the molecular formula C20H23IN4 and a molecular weight of 446.34 g/mol. Its IUPAC name is 2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
PubChem CID111968660
Molecular FormulaC20H23IN4
Molecular Weight446.34 g/mol
Exact Mass446.10
IUPAC Name2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
SMILESC/N=C(\NCc1ccc(C)cc1)NCc1ccnc2ccccc12.I
InChIInChI=1S/C20H22N4.HI/c1-15-7-9-16(10-8-15)13-23-20(21-2)24-14-17-11-12-22-19-6-4-3-5-18(17)19;/h3-12H,13-14H2,1-2H3,(H2,21,23,24);1H
InChIKeyMEJRDMYBUNWZIV-UHFFFAOYSA-N
XLogP4.03
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.34
LogP ≤ 54.03
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'}

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Related Compounds

1-[(4-bromophenyl)methyl]-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111978589
2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968454
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111968611
1-(furan-2-ylmethyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111751892
1-benzyl-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 110953592
1-cyclohexyl-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968058
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111968551
1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111968573
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111980770
2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine
CID 111243449
2-methyl-1-[(4-methylphenyl)methyl]-3-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111245303
1,1'-biphenyl;4-[(4-methylphenyl)methyl]quinoline
CID 160837559

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide (CID 111968660) is 2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide is C/N=C(\NCc1ccc(C)cc1)NCc1ccnc2ccccc12.I.
What is the InChIKey of 2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide?
The InChIKey is MEJRDMYBUNWZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4.HI/c1-15-7-9-16(10-8-15)13-23-20(21-2)24-14-17-11-12-22-19-6-4-3-5-18(17)19;/h3-12H,13-14H2,1-2H3,(H2,21,23,24);1H.
What are the key properties of 2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide?
2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide has a molecular weight of 446.34 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 111968660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).