N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine

C22H22N4O2 — CID 44531812

IUPACN,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine
SMILESCOc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12
InChIInChI=1S/C22H22N4O2/c1-27-19-7-3-5-15-17(9-11-25-21(15)19)23-13-14-24-18-10-12-26-22-16(18)6-4-8-20(22)28-2/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOBEXOFONJDJASX-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.32
Rot. Bonds7

About N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine

N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine (PubChem CID 44531812) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine
PubChem CID44531812
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine
SMILESCOc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12
InChIInChI=1S/C22H22N4O2/c1-27-19-7-3-5-15-17(9-11-25-21(15)19)23-13-14-24-18-10-12-26-22-16(18)6-4-8-20(22)28-2/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyOBEXOFONJDJASX-UHFFFAOYSA-N
XLogP4.32
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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(8-methoxyquinolin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine (CID 44531812) is N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine is COc1cccc2c(NCCNc3ccnc4c(OC)cccc34)ccnc12.
What is the InChIKey of N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine?
The InChIKey is OBEXOFONJDJASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-27-19-7-3-5-15-17(9-11-25-21(15)19)23-13-14-24-18-10-12-26-22-16(18)6-4-8-20(22)28-2/h3-12H,13-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine?
N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine has a molecular weight of 374.44 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(8-methoxyquinolin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 44531812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).