1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine

C17H24N4O — CID 111968573

IUPAC1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine
SMILESCCOCCCN/C(=N\C)NCc1ccnc2ccccc12
InChIInChI=1S/C17H24N4O/c1-3-22-12-6-10-20-17(18-2)21-13-14-9-11-19-16-8-5-4-7-15(14)16/h4-5,7-9,11H,3,6,10,12-13H2,1-2H3,(H2,18,20,21)
InChIKeyGNPVRLBBUWGTJO-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.33
Rot. Bonds7

About 1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine

1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine (PubChem CID 111968573) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine
PubChem CID111968573
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine
SMILESCCOCCCN/C(=N\C)NCc1ccnc2ccccc12
InChIInChI=1S/C17H24N4O/c1-3-22-12-6-10-20-17(18-2)21-13-14-9-11-19-16-8-5-4-7-15(14)16/h4-5,7-9,11H,3,6,10,12-13H2,1-2H3,(H2,18,20,21)
InChIKeyGNPVRLBBUWGTJO-UHFFFAOYSA-N
XLogP2.33
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(3-ethoxypropyl)-3-[(2-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111224802
1-(3-ethoxypropyl)-2-methyl-3-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111224801
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111968611
2-methyl-1-[(4-methylphenyl)methyl]-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968660
2-methyl-1-(2-methylpropyl)-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111968454
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-(quinolin-4-ylmethyl)guanidine
CID 111969015
1-(3-ethoxypropyl)-2-methyl-3-[[2-(3-methylbutoxy)phenyl]methyl]guanidine
CID 111222465
1-(3-ethoxypropyl)-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111222878
1-[(4-bromophenyl)methyl]-2-methyl-3-(quinolin-4-ylmethyl)guanidine;hydroiodide
CID 111978589
1-(furan-2-ylmethyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111751892
1-(3-ethoxypropyl)-2-methyl-3-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111222302
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-(quinolin-4-ylmethyl)guanidine
CID 111968551

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine?
The IUPAC name of 1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine (CID 111968573) is 1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine is CCOCCCN/C(=N\C)NCc1ccnc2ccccc12.
What is the InChIKey of 1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine?
The InChIKey is GNPVRLBBUWGTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-22-12-6-10-20-17(18-2)21-13-14-9-11-19-16-8-5-4-7-15(14)16/h4-5,7-9,11H,3,6,10,12-13H2,1-2H3,(H2,18,20,21).
What are the key properties of 1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine?
1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine has a molecular weight of 300.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-methyl-3-(quinolin-4-ylmethyl)guanidine is sourced from PubChem (CID 111968573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).