1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide

C18H23IN4O — CID 120580654

IUPAC1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
SMILESCOc1ccc(N/C(N)=N/Cc2ccc3c(n2)CCCC3)cc1.I
InChIInChI=1S/C18H22N4O.HI/c1-23-16-10-8-14(9-11-16)22-18(19)20-12-15-7-6-13-4-2-3-5-17(13)21-15;/h6-11H,2-5,12H2,1H3,(H3,19,20,22);1H
InChIKeyQKXAJXIIKPTFLP-UHFFFAOYSA-N
MW438.31 g/mol
LogP3.51
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide

1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide (PubChem CID 120580654) has the molecular formula C18H23IN4O and a molecular weight of 438.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
PubChem CID120580654
Molecular FormulaC18H23IN4O
Molecular Weight438.31 g/mol
Exact Mass438.09
IUPAC Name1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
SMILESCOc1ccc(N/C(N)=N/Cc2ccc3c(n2)CCCC3)cc1.I
InChIInChI=1S/C18H22N4O.HI/c1-23-16-10-8-14(9-11-16)22-18(19)20-12-15-7-6-13-4-2-3-5-17(13)21-15;/h6-11H,2-5,12H2,1H3,(H3,19,20,22);1H
InChIKeyQKXAJXIIKPTFLP-UHFFFAOYSA-N
XLogP3.51
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 53.51
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580650
1-(4-propan-2-yloxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
CID 120580651
1-(3,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine
CID 120580617
1-phenyl-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580606
2-[(2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111821407
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide
CID 120580407
2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)-1-[3-(trifluoromethoxy)phenyl]guanidine
CID 120580645
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
1-(2,3-dihydro-1H-inden-5-yl)-2-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]guanidine
CID 111073863
2-[(4-bromophenyl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111753557
1-(2,3-dihydro-1H-inden-5-yl)-2-[(2,4-dimethoxyphenyl)methyl]guanidine;hydroiodide
CID 111044221
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide?
The IUPAC name of 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide (CID 120580654) is 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide is COc1ccc(N/C(N)=N/Cc2ccc3c(n2)CCCC3)cc1.I.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide?
The InChIKey is QKXAJXIIKPTFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O.HI/c1-23-16-10-8-14(9-11-16)22-18(19)20-12-15-7-6-13-4-2-3-5-17(13)21-15;/h6-11H,2-5,12H2,1H3,(H3,19,20,22);1H.
What are the key properties of 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide?
1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide has a molecular weight of 438.31 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)guanidine;hydroiodide is sourced from PubChem (CID 120580654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).