N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine

C22H25N5 — CID 134130331

IUPACN',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc2ccccc2c2nc3ccccc3nc12
InChIInChI=1S/C22H25N5/c1-3-27(4-2)15-9-14-23-22-21-20(16-10-5-6-11-17(16)26-22)24-18-12-7-8-13-19(18)25-21/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,23,26)
InChIKeyRISWDIZQFXOZCB-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.47
Rot. Bonds7

About N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine

N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine (PubChem CID 134130331) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine
PubChem CID134130331
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC NameN',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1nc2ccccc2c2nc3ccccc3nc12
InChIInChI=1S/C22H25N5/c1-3-27(4-2)15-9-14-23-22-21-20(16-10-5-6-11-17(16)26-22)24-18-12-7-8-13-19(18)25-21/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,23,26)
InChIKeyRISWDIZQFXOZCB-UHFFFAOYSA-N
XLogP4.47
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N',N'-diethyl-N-(2-hydrazinylquinazolin-4-yl)propane-1,3-diamine
CID 80938208
N',N'-diethyl-N-(2-thiophen-2-ylpyrimido[5,4-c]cinnolin-4-yl)propane-1,3-diamine
CID 11552915
bis(N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine);hydrate;tetrahydrochloride
CID 67663947
N',N'-diethyl-N-(4-methylquinolin-2-yl)propane-1,3-diamine;hydrate;dihydrochloride
CID 67663946
N',N'-diethyl-N-[2-[(E)-2-(4-fluorophenyl)ethenyl]quinazolin-4-yl]propane-1,3-diamine
CID 121453105
3-N-[2-(diethylamino)ethyl]quinoxaline-2,3-diamine
CID 102983578
N',N'-diethyl-N-naphthalen-1-ylpropane-1,3-diamine
CID 15280089
N-(2-chloroquinazolin-4-yl)-N',N'-diethylethane-1,2-diamine;hydrochloride
CID 21412321
N',N'-diethyl-N-[2-(4-nitrophenyl)quinazolin-4-yl]propane-1,3-diamine;hydrochloride
CID 2792715
N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine
CID 4667810
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
4-[2-(diethylamino)ethylamino]quinazoline-2-carboxylic acid
CID 62407799

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine (CID 134130331) is N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine is CCN(CC)CCCNc1nc2ccccc2c2nc3ccccc3nc12.
What is the InChIKey of N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine?
The InChIKey is RISWDIZQFXOZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-3-27(4-2)15-9-14-23-22-21-20(16-10-5-6-11-17(16)26-22)24-18-12-7-8-13-19(18)25-21/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,23,26).
What are the key properties of N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine?
N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine has a molecular weight of 359.48 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-quinolino[4,3-b]quinoxalin-6-ylpropane-1,3-diamine is sourced from PubChem (CID 134130331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).