1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine

C22H26N4 — CID 111287395

IUPAC1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine
SMILESC/N=C(/NCCc1cccc2cccnc12)N(C)Cc1ccccc1C
InChIInChI=1S/C22H26N4/c1-17-8-4-5-9-20(17)16-26(3)22(23-2)25-15-13-19-11-6-10-18-12-7-14-24-21(18)19/h4-12,14H,13,15-16H2,1-3H3,(H,23,25)
InChIKeyOABXJDJYVNYYJD-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.79
Rot. Bonds5

About 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine

1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine (PubChem CID 111287395) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine.

Molecular Properties

Compound Name1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine
PubChem CID111287395
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine
SMILESC/N=C(/NCCc1cccc2cccnc12)N(C)Cc1ccccc1C
InChIInChI=1S/C22H26N4/c1-17-8-4-5-9-20(17)16-26(3)22(23-2)25-15-13-19-11-6-10-18-12-7-14-24-21(18)19/h4-12,14H,13,15-16H2,1-3H3,(H,23,25)
InChIKeyOABXJDJYVNYYJD-UHFFFAOYSA-N
XLogP3.79
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
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

1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-quinolin-8-ylethyl)guanidine
CID 109423414
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109402108
1-[[4-(difluoromethoxy)phenyl]methyl]-1,2-dimethyl-3-(2-quinolin-8-ylethyl)guanidine
CID 111288521
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111286620
2-methyl-1-(2-quinolin-8-ylethyl)guanidine
CID 78989907
1-ethyl-2-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine
CID 111359484
1-amino-2-methyl-3-(2-quinolin-8-ylethyl)guanidine
CID 116510983
3-(2-ethoxyethyl)-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine
CID 111286859
2-methyl-1-(2-pyridin-2-ylethyl)-3-(2-quinolin-8-ylethyl)guanidine;hydroiodide
CID 111193893
1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-naphthalen-1-ylethyl)guanidine;hydroiodide
CID 109421689
3-[[N,N'-dimethyl-N-[(2-methylphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111287028
3-(2-ethylsulfonylethyl)-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111286636

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine?
The IUPAC name of 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine (CID 111287395) is 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine.
What is the SMILES notation for 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine?
The canonical SMILES for 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine is C/N=C(/NCCc1cccc2cccnc12)N(C)Cc1ccccc1C.
What is the InChIKey of 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine?
The InChIKey is OABXJDJYVNYYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-17-8-4-5-9-20(17)16-26(3)22(23-2)25-15-13-19-11-6-10-18-12-7-14-24-21(18)19/h4-12,14H,13,15-16H2,1-3H3,(H,23,25).
What are the key properties of 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine?
1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine has a molecular weight of 346.48 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-[(2-methylphenyl)methyl]-3-(2-quinolin-8-ylethyl)guanidine is sourced from PubChem (CID 111287395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).