1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine

C21H26N4O2 — CID 111663359

IUPAC1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccc2cccnc12)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C21H26N4O2/c1-4-22-20(25-14-21(3,26)18-11-10-15(2)27-18)24-13-17-8-5-7-16-9-6-12-23-19(16)17/h5-12,26H,4,13-14H2,1-3H3,(H2,22,24,25)
InChIKeyGAUMORWNTODIFO-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.10
Rot. Bonds6

About 1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine

1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine (PubChem CID 111663359) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine.

Molecular Properties

Compound Name1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine
PubChem CID111663359
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cccc2cccnc12)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C21H26N4O2/c1-4-22-20(25-14-21(3,26)18-11-10-15(2)27-18)24-13-17-8-5-7-16-9-6-12-23-19(16)17/h5-12,26H,4,13-14H2,1-3H3,(H2,22,24,25)
InChIKeyGAUMORWNTODIFO-UHFFFAOYSA-N
XLogP3.10
TPSA82.68 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111663522
2-benzyl-1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]guanidine
CID 111663799
1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]guanidine
CID 111664255
1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine
CID 111663509
1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]guanidine;hydroiodide
CID 111663508
1-(2-ethoxyethyl)-3-ethyl-2-(quinolin-8-ylmethyl)guanidine
CID 111896417
1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-[[3-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111664565
1-ethyl-3-(2-ethylbutyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111891520
1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111663847
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 111520087
1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-[[4-(imidazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111663275
1-ethyl-3-(2-methylcyclopropyl)-2-(quinolin-8-ylmethyl)guanidine
CID 111963065

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine?
The IUPAC name of 1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine (CID 111663359) is 1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine.
What is the SMILES notation for 1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine?
The canonical SMILES for 1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine is CCN/C(=N\Cc1cccc2cccnc12)NCC(C)(O)c1ccc(C)o1.
What is the InChIKey of 1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine?
The InChIKey is GAUMORWNTODIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-4-22-20(25-14-21(3,26)18-11-10-15(2)27-18)24-13-17-8-5-7-16-9-6-12-23-19(16)17/h5-12,26H,4,13-14H2,1-3H3,(H2,22,24,25).
What are the key properties of 1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine?
1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine has a molecular weight of 366.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-(quinolin-8-ylmethyl)guanidine is sourced from PubChem (CID 111663359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).