1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine

C19H18F2N4 — CID 111901821

IUPAC1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine
SMILESC/N=C(\NCc1cc(F)ccc1F)NCc1cccc2cccnc12
InChIInChI=1S/C19H18F2N4/c1-22-19(25-12-15-10-16(20)7-8-17(15)21)24-11-14-5-2-4-13-6-3-9-23-18(13)14/h2-10H,11-12H2,1H3,(H2,22,24,25)
InChIKeyPFDWEPJHURHING-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.38
Rot. Bonds4

About 1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine

1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine (PubChem CID 111901821) has the molecular formula C19H18F2N4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine
PubChem CID111901821
Molecular FormulaC19H18F2N4
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine
SMILESC/N=C(\NCc1cc(F)ccc1F)NCc1cccc2cccnc12
InChIInChI=1S/C19H18F2N4/c1-22-19(25-12-15-10-16(20)7-8-17(15)21)24-11-14-5-2-4-13-6-3-9-23-18(13)14/h2-10H,11-12H2,1H3,(H2,22,24,25)
InChIKeyPFDWEPJHURHING-UHFFFAOYSA-N
XLogP3.38
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.38
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-amino-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 116510984
2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine
CID 111243449
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111865011
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111785895
N'-(2,5-difluorophenyl)-N-(quinolin-8-ylmethyl)oxamide
CID 86864531
1-[(2,5-difluorophenyl)methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111782897
N-[2-[[N-[(2,5-difluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111901474
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(quinolin-8-ylmethyl)guanidine
CID 111232803
1-[3-[di(propan-2-yl)amino]propyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine
CID 111692540
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111401842
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(1H-pyrazol-5-ylmethyl)guanidine;hydroiodide
CID 111903376
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111903389

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine (CID 111901821) is 1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine is C/N=C(\NCc1cc(F)ccc1F)NCc1cccc2cccnc12.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
The InChIKey is PFDWEPJHURHING-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4/c1-22-19(25-12-15-10-16(20)7-8-17(15)21)24-11-14-5-2-4-13-6-3-9-23-18(13)14/h2-10H,11-12H2,1H3,(H2,22,24,25).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine has a molecular weight of 340.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-2-methyl-3-(quinolin-8-ylmethyl)guanidine is sourced from PubChem (CID 111901821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).