2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine

C23H36N6O — CID 111774846

IUPAC2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1cc(N(C)C)nc2ccccc12)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C23H36N6O/c1-6-24-22(26-17-23(2,3)29-11-13-30-14-12-29)25-16-18-15-21(28(4)5)27-20-10-8-7-9-19(18)20/h7-10,15H,6,11-14,16-17H2,1-5H3,(H2,24,25,26)
InChIKeyNRKBQSRTAJASHT-UHFFFAOYSA-N
MW412.58 g/mol
LogP2.47
Rot. Bonds7

About 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine

2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine (PubChem CID 111774846) has the molecular formula C23H36N6O and a molecular weight of 412.58 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine.

Molecular Properties

Compound Name2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
PubChem CID111774846
Molecular FormulaC23H36N6O
Molecular Weight412.58 g/mol
Exact Mass412.30
IUPAC Name2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
SMILESCCN/C(=N\Cc1cc(N(C)C)nc2ccccc12)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C23H36N6O/c1-6-24-22(26-17-23(2,3)29-11-13-30-14-12-29)25-16-18-15-21(28(4)5)27-20-10-8-7-9-19(18)20/h7-10,15H,6,11-14,16-17H2,1-5H3,(H2,24,25,26)
InChIKeyNRKBQSRTAJASHT-UHFFFAOYSA-N
XLogP2.47
TPSA65.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-2-morpholin-4-ylpropyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111315657
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111314303
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111775876
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[[2-(phenylmethoxymethyl)phenyl]methyl]guanidine
CID 111315710
2-[[N'-[[2-(dimethylamino)quinolin-4-yl]methyl]-N-ethylcarbamimidoyl]amino]-N,N-dimethylacetamide
CID 111775796
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111313565
1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)-2-[(2-phenyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 111314203
N-benzyl-2-[[ethylamino-[(2-methyl-2-morpholin-4-ylpropyl)amino]methylidene]amino]acetamide
CID 111314876
2-[(2-butoxy-3-pyridinyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111314096
2-[(4-cyano-2-fluorophenyl)methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111765481
2-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111313276
1-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111313165

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine (CID 111774846) is 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine.
What is the SMILES notation for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The canonical SMILES for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine is CCN/C(=N\Cc1cc(N(C)C)nc2ccccc12)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
The InChIKey is NRKBQSRTAJASHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N6O/c1-6-24-22(26-17-23(2,3)29-11-13-30-14-12-29)25-16-18-15-21(28(4)5)27-20-10-8-7-9-19(18)20/h7-10,15H,6,11-14,16-17H2,1-5H3,(H2,24,25,26).
What are the key properties of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine?
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine has a molecular weight of 412.58 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine is sourced from PubChem (CID 111774846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).