2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine

C19H28N6O — CID 111079547

IUPAC2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C19H28N6O/c20-19(22-8-3-11-25-12-14-26-15-13-25)23-10-9-21-18-7-6-16-4-1-2-5-17(16)24-18/h1-2,4-7H,3,8-15H2,(H,21,24)(H3,20,22,23)
InChIKeyQUBITFQTAVMWFO-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.27
Rot. Bonds8

About 2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine

2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine (PubChem CID 111079547) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine
PubChem CID111079547
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine
SMILESN/C(=N\CCCN1CCOCC1)NCCNc1ccc2ccccc2n1
InChIInChI=1S/C19H28N6O/c20-19(22-8-3-11-25-12-14-26-15-13-25)23-10-9-21-18-7-6-16-4-1-2-5-17(16)24-18/h1-2,4-7H,3,8-15H2,(H,21,24)(H3,20,22,23)
InChIKeyQUBITFQTAVMWFO-UHFFFAOYSA-N
XLogP1.27
TPSA87.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-ethyl-2-(2-morpholin-4-ylethyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111187072
2-(3-morpholin-4-ylpropyl)-1-(2-naphthalen-2-ylethyl)guanidine
CID 111069794
2-(cyclobutylmethyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111079562
1-[2-[benzyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111078725
2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111059887
1-[4-(N-methylanilino)butyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111078602
2-[2-(4-methoxyphenyl)ethyl]-1-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 110926424
2-[3-(4-hydroxyphenyl)propyl]-1-(3-morpholin-4-ylpropyl)guanidine
CID 111816056
1-ethyl-2-(2-methyl-2-morpholin-4-ylpropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111313175
1-[2-(azepan-1-yl)ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111057007
1-[2-(4-methylphenyl)sulfanylethyl]-2-(3-morpholin-4-ylpropyl)guanidine
CID 111033334
1-[2-[cyclopentyl(methyl)amino]ethyl]-2-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111804104

Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine?
The IUPAC name of 2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine (CID 111079547) is 2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine.
What is the SMILES notation for 2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine?
The canonical SMILES for 2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine is N/C(=N\CCCN1CCOCC1)NCCNc1ccc2ccccc2n1.
What is the InChIKey of 2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine?
The InChIKey is QUBITFQTAVMWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c20-19(22-8-3-11-25-12-14-26-15-13-25)23-10-9-21-18-7-6-16-4-1-2-5-17(16)24-18/h1-2,4-7H,3,8-15H2,(H,21,24)(H3,20,22,23).
What are the key properties of 2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine?
2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine has a molecular weight of 356.47 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropyl)-1-[2-(quinolin-2-ylamino)ethyl]guanidine is sourced from PubChem (CID 111079547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).