2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine

C18H27N5O — CID 111822310

IUPAC2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine
SMILESCCOCCCN/C(N)=N/Cc1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C18H27N5O/c1-4-24-11-7-10-20-18(19)21-13-14-12-17(23(2)3)22-16-9-6-5-8-15(14)16/h5-6,8-9,12H,4,7,10-11,13H2,1-3H3,(H3,19,20,21)
InChIKeyUOMQEEUIIVADQC-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.13
Rot. Bonds8

About 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine

2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine (PubChem CID 111822310) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine
PubChem CID111822310
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine
SMILESCCOCCCN/C(N)=N/Cc1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C18H27N5O/c1-4-24-11-7-10-20-18(19)21-13-14-12-17(23(2)3)22-16-9-6-5-8-15(14)16/h5-6,8-9,12H,4,7,10-11,13H2,1-3H3,(H3,19,20,21)
InChIKeyUOMQEEUIIVADQC-UHFFFAOYSA-N
XLogP2.13
TPSA75.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 109394754
1-(3-ethoxypropyl)-2-[[2-(hydroxymethyl)phenyl]methyl]guanidine
CID 111077313
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111776715
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111776556
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111822384
2-[[N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 111775796
1-(3-ethoxypropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine
CID 111038280
1-(3-ethoxypropyl)-2-[[2-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111074541
2-[[2-(difluoromethoxy)phenyl]methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111039887
2-[[4-(dimethylamino)-3-fluorophenyl]methyl]-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111087390
1-(3-ethoxypropyl)-2-[[2-(3-methylbutoxy)phenyl]methyl]guanidine
CID 111090247
2-(2,2-diphenylethyl)-1-(3-ethoxypropyl)guanidine;hydroiodide
CID 111031127

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine?
The IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine (CID 111822310) is 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine?
The canonical SMILES for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine is CCOCCCN/C(N)=N/Cc1cc(N(C)C)nc2ccccc12.
What is the InChIKey of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine?
The InChIKey is UOMQEEUIIVADQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-24-11-7-10-20-18(19)21-13-14-12-17(23(2)3)22-16-9-6-5-8-15(14)16/h5-6,8-9,12H,4,7,10-11,13H2,1-3H3,(H3,19,20,21).
What are the key properties of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine?
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine has a molecular weight of 329.45 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 111822310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).