1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine

C22H24N4 — CID 119132732

IUPAC1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
SMILESC/N=C(\NCc1nccc2ccccc12)NC1CCc2ccccc2C1
InChIInChI=1S/C22H24N4/c1-23-22(26-19-11-10-16-6-2-3-8-18(16)14-19)25-15-21-20-9-5-4-7-17(20)12-13-24-21/h2-9,12-13,19H,10-11,14-15H2,1H3,(H2,23,25,26)
InChIKeyQLEDJXTVDVKBFM-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.46
Rot. Bonds3

About 1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine

1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine (PubChem CID 119132732) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine.

Molecular Properties

Compound Name1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
PubChem CID119132732
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC Name1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
SMILESC/N=C(\NCc1nccc2ccccc12)NC1CCc2ccccc2C1
InChIInChI=1S/C22H24N4/c1-23-22(26-19-11-10-16-6-2-3-8-18(16)14-19)25-15-21-20-9-5-4-7-17(20)12-13-24-21/h2-9,12-13,19H,10-11,14-15H2,1H3,(H2,23,25,26)
InChIKeyQLEDJXTVDVKBFM-UHFFFAOYSA-N
XLogP3.46
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.46
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'}

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Related Compounds

1-cyclohexyl-3-(isoquinolin-1-ylmethyl)-2-methylguanidine
CID 110957626
1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909667
1-(furan-2-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 119132815
1-benzyl-3-(isoquinolin-1-ylmethyl)-2-methylguanidine;hydroiodide
CID 75532621
2-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine
CID 119146347
2-methyl-1-[[2-(oxan-4-yloxy)-4-pyridinyl]methyl]-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine;hydroiodide
CID 119146113
1-(isoquinolin-1-ylmethyl)-3-[1-(3-methoxyphenyl)pyrrolidin-3-yl]-2-methylguanidine
CID 119150357
1-(isoquinolin-1-ylmethyl)-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110968725
1-(isoquinolin-1-ylmethyl)-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001124
1-[(2-ethylphenyl)methyl]-3-(isoquinolin-1-ylmethyl)-2-methylguanidine
CID 111635770
2-[[N-(isoquinolin-1-ylmethyl)-N'-methylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 119132980
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(isoquinolin-1-ylmethyl)-2-methylguanidine
CID 111270043

Frequently Asked Questions

What is the IUPAC name of 1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The IUPAC name of 1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine (CID 119132732) is 1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine.
What is the SMILES notation for 1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The canonical SMILES for 1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine is C/N=C(\NCc1nccc2ccccc12)NC1CCc2ccccc2C1.
What is the InChIKey of 1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
The InChIKey is QLEDJXTVDVKBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-23-22(26-19-11-10-16-6-2-3-8-18(16)14-19)25-15-21-20-9-5-4-7-17(20)12-13-24-21/h2-9,12-13,19H,10-11,14-15H2,1H3,(H2,23,25,26).
What are the key properties of 1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine?
1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine has a molecular weight of 344.46 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(isoquinolin-1-ylmethyl)-2-methyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)guanidine is sourced from PubChem (CID 119132732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).