N',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine

C24H26Cl2N6 — CID 10528306

IUPACN',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine
SMILESNCCN(CCNc1ccnc2cc(Cl)ccc12)CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C24H26Cl2N6/c25-17-1-3-19-21(5-8-28-23(19)15-17)30-10-13-32(12-7-27)14-11-31-22-6-9-29-24-16-18(26)2-4-20(22)24/h1-6,8-9,15-16H,7,10-14,27H2,(H,28,30)(H,29,31)
InChIKeyPSKKLQXQUNMGNI-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.87
Rot. Bonds10

About N',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine

N',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine (PubChem CID 10528306) has the molecular formula C24H26Cl2N6 and a molecular weight of 469.42 g/mol. Its IUPAC name is N',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine
PubChem CID10528306
Molecular FormulaC24H26Cl2N6
Molecular Weight469.42 g/mol
Exact Mass468.16
IUPAC NameN',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine
SMILESNCCN(CCNc1ccnc2cc(Cl)ccc12)CCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C24H26Cl2N6/c25-17-1-3-19-21(5-8-28-23(19)15-17)30-10-13-32(12-7-27)14-11-31-22-6-9-29-24-16-18(26)2-4-20(22)24/h1-6,8-9,15-16H,7,10-14,27H2,(H,28,30)(H,29,31)
InChIKeyPSKKLQXQUNMGNI-UHFFFAOYSA-N
XLogP4.87
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine?
The IUPAC name of N',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine (CID 10528306) is N',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine is NCCN(CCNc1ccnc2cc(Cl)ccc12)CCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine?
The InChIKey is PSKKLQXQUNMGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N6/c25-17-1-3-19-21(5-8-28-23(19)15-17)30-10-13-32(12-7-27)14-11-31-22-6-9-29-24-16-18(26)2-4-20(22)24/h1-6,8-9,15-16H,7,10-14,27H2,(H,28,30)(H,29,31).
What are the key properties of N',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine?
N',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine has a molecular weight of 469.42 g/mol, XLogP of 4.87, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis[2-[(7-chloroquinolin-4-yl)amino]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 10528306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).