N,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine

C22H22N4 — CID 118717456

IUPACN,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine
SMILESCc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1
InChIInChI=1S/C22H22N4/c1-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZEJCAUGJSXGWIE-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.92
Rot. Bonds5

About N,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine

N,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine (PubChem CID 118717456) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is N,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine
PubChem CID118717456
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC NameN,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine
SMILESCc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1
InChIInChI=1S/C22H22N4/c1-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyZEJCAUGJSXGWIE-UHFFFAOYSA-N
XLogP4.92
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.92
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,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine (CID 118717456) is N,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine is Cc1ccc2c(NCCNc3ccnc4cc(C)ccc34)ccnc2c1.
What is the InChIKey of N,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is ZEJCAUGJSXGWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-15-3-5-17-19(7-9-23-21(17)13-15)25-11-12-26-20-8-10-24-22-14-16(2)4-6-18(20)22/h3-10,13-14H,11-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine?
N,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 342.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(7-methylquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 118717456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).