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

C24H38N6O — CID 111775876

IUPAC2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
SMILESCCN/C(=N\Cc1cc(N(C)C)nc2ccccc12)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C24H38N6O/c1-6-25-24(27-15-20-17-30(11-12-31-20)16-18(2)3)26-14-19-13-23(29(4)5)28-22-10-8-7-9-21(19)22/h7-10,13,18,20H,6,11-12,14-17H2,1-5H3,(H2,25,26,27)
InChIKeyCYUWXKBNDGBDIC-UHFFFAOYSA-N
MW426.61 g/mol
LogP2.71
Rot. Bonds8

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

2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine (PubChem CID 111775876) has the molecular formula C24H38N6O and a molecular weight of 426.61 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine.

Molecular Properties

Compound Name2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
PubChem CID111775876
Molecular FormulaC24H38N6O
Molecular Weight426.61 g/mol
Exact Mass426.31
IUPAC Name2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
SMILESCCN/C(=N\Cc1cc(N(C)C)nc2ccccc12)NCC1CN(CC(C)C)CCO1
InChIInChI=1S/C24H38N6O/c1-6-25-24(27-15-20-17-30(11-12-31-20)16-18(2)3)26-14-19-13-23(29(4)5)28-22-10-8-7-9-21(19)22/h7-10,13,18,20H,6,11-12,14-17H2,1-5H3,(H2,25,26,27)
InChIKeyCYUWXKBNDGBDIC-UHFFFAOYSA-N
XLogP2.71
TPSA65.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.61
LogP ≤ 52.71
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'}

Analyze 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111369670
2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111831422
1-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111601875
2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111831421
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111774846
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine;hydroiodide
CID 111369180
1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584120
1-ethyl-2-[[3-(2-methoxyethoxy)phenyl]methyl]-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111368675
N-ethyl-3-[[[ethylamino-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]methylidene]amino]methyl]benzamide
CID 111369155
1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111368827
1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-[[3-(propan-2-yloxymethyl)phenyl]methyl]guanidine;hydroiodide
CID 111369326
2-[(4-cyanophenyl)methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine
CID 111369911

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine?
The IUPAC name of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine (CID 111775876) is 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine.
What is the SMILES notation for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine?
The canonical SMILES for 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine is CCN/C(=N\Cc1cc(N(C)C)nc2ccccc12)NCC1CN(CC(C)C)CCO1.
What is the InChIKey of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine?
The InChIKey is CYUWXKBNDGBDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O/c1-6-25-24(27-15-20-17-30(11-12-31-20)16-18(2)3)26-14-19-13-23(29(4)5)28-22-10-8-7-9-21(19)22/h7-10,13,18,20H,6,11-12,14-17H2,1-5H3,(H2,25,26,27).
What are the key properties of 2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine?
2-[[2-(dimethylamino)quinolin-4-yl]methyl]-1-ethyl-3-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine has a molecular weight of 426.61 g/mol, XLogP of 2.71, 8 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-[[4-(2-methylpropyl)morpholin-2-yl]methyl]guanidine is sourced from PubChem (CID 111775876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).