N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine

C22H28N4 — CID 166382392

IUPACN-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine
SMILESCCCCCc1cc(NCCNc2cccc(C)n2)c2ccccc2n1
InChIInChI=1S/C22H28N4/c1-3-4-5-10-18-16-21(19-11-6-7-12-20(19)26-18)23-14-15-24-22-13-8-9-17(2)25-22/h6-9,11-13,16H,3-5,10,14-15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyGPANYCNOVDJNIC-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.19
Rot. Bonds9

About N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine

N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine (PubChem CID 166382392) has the molecular formula C22H28N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine
PubChem CID166382392
Molecular FormulaC22H28N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC NameN-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine
SMILESCCCCCc1cc(NCCNc2cccc(C)n2)c2ccccc2n1
InChIInChI=1S/C22H28N4/c1-3-4-5-10-18-16-21(19-11-6-7-12-20(19)26-18)23-14-15-24-22-13-8-9-17(2)25-22/h6-9,11-13,16H,3-5,10,14-15H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyGPANYCNOVDJNIC-UHFFFAOYSA-N
XLogP5.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine (CID 166382392) is N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine is CCCCCc1cc(NCCNc2cccc(C)n2)c2ccccc2n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is GPANYCNOVDJNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4/c1-3-4-5-10-18-16-21(19-11-6-7-12-20(19)26-18)23-14-15-24-22-13-8-9-17(2)25-22/h6-9,11-13,16H,3-5,10,14-15H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine?
N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 348.49 g/mol, XLogP of 5.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-N'-(2-pentylquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 166382392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).