1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine

C23H35N5O — CID 111936309

IUPAC1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine
SMILESCCC(CC)C(CN/C(=N\C)NCc1cccc2cccnc12)N1CCOCC1
InChIInChI=1S/C23H35N5O/c1-4-18(5-2)21(28-12-14-29-15-13-28)17-27-23(24-3)26-16-20-9-6-8-19-10-7-11-25-22(19)20/h6-11,18,21H,4-5,12-17H2,1-3H3,(H2,24,26,27)
InChIKeyQPGWZSIRAYJMKE-UHFFFAOYSA-N
MW397.57 g/mol
LogP3.04
Rot. Bonds8

About 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine

1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine (PubChem CID 111936309) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine.

Molecular Properties

Compound Name1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine
PubChem CID111936309
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC Name1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine
SMILESCCC(CC)C(CN/C(=N\C)NCc1cccc2cccnc12)N1CCOCC1
InChIInChI=1S/C23H35N5O/c1-4-18(5-2)21(28-12-14-29-15-13-28)17-27-23(24-3)26-16-20-9-6-8-19-10-7-11-25-22(19)20/h6-11,18,21H,4-5,12-17H2,1-3H3,(H2,24,26,27)
InChIKeyQPGWZSIRAYJMKE-UHFFFAOYSA-N
XLogP3.04
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 53.04
H-Bond Donors ≤ 52
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-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111218239
1-benzyl-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 110954798
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine
CID 111602136
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111936498
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111936499
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine
CID 111534462
1-(1,3-benzodioxol-5-ylmethyl)-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 111843746
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111936358
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-propylguanidine
CID 111228651
3-[[[N-(3-ethyl-2-morpholin-4-ylpentyl)-N'-methylcarbamimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111936698
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-methylguanidine;hydroiodide
CID 111936568
1-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(3-ethyl-2-morpholin-4-ylpentyl)-2-methylguanidine
CID 111936681

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
The IUPAC name of 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine (CID 111936309) is 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine.
What is the SMILES notation for 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
The canonical SMILES for 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine is CCC(CC)C(CN/C(=N\C)NCc1cccc2cccnc12)N1CCOCC1.
What is the InChIKey of 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
The InChIKey is QPGWZSIRAYJMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O/c1-4-18(5-2)21(28-12-14-29-15-13-28)17-27-23(24-3)26-16-20-9-6-8-19-10-7-11-25-22(19)20/h6-11,18,21H,4-5,12-17H2,1-3H3,(H2,24,26,27).
What are the key properties of 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine?
1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine has a molecular weight of 397.57 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-morpholin-4-ylpentyl)-2-methyl-3-(quinolin-8-ylmethyl)guanidine is sourced from PubChem (CID 111936309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).