N,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine

C20H22Cl2N6 — CID 87998246

IUPACN,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)C1=Nc2ccccc2N(Cl)C1)C1=Nc2ccccc2N(Cl)C1
InChIInChI=1S/C20H22Cl2N6/c1-25(19-13-27(21)17-9-5-3-7-15(17)23-19)11-12-26(2)20-14-28(22)18-10-6-4-8-16(18)24-20/h3-10H,11-14H2,1-2H3
InChIKeyMYQSBLLFVBSAQZ-UHFFFAOYSA-N
MW417.34 g/mol
LogP4.26
Rot. Bonds3

About N,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine

N,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 87998246) has the molecular formula C20H22Cl2N6 and a molecular weight of 417.34 g/mol. Its IUPAC name is N,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID87998246
Molecular FormulaC20H22Cl2N6
Molecular Weight417.34 g/mol
Exact Mass416.13
IUPAC NameN,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)C1=Nc2ccccc2N(Cl)C1)C1=Nc2ccccc2N(Cl)C1
InChIInChI=1S/C20H22Cl2N6/c1-25(19-13-27(21)17-9-5-3-7-15(17)23-19)11-12-26(2)20-14-28(22)18-10-6-4-8-16(18)24-20/h3-10H,11-14H2,1-2H3
InChIKeyMYQSBLLFVBSAQZ-UHFFFAOYSA-N
XLogP4.26
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine (CID 87998246) is N,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)C1=Nc2ccccc2N(Cl)C1)C1=Nc2ccccc2N(Cl)C1.
What is the InChIKey of N,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is MYQSBLLFVBSAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N6/c1-25(19-13-27(21)17-9-5-3-7-15(17)23-19)11-12-26(2)20-14-28(22)18-10-6-4-8-16(18)24-20/h3-10H,11-14H2,1-2H3.
What are the key properties of N,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine?
N,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 417.34 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-chloro-3H-quinoxalin-2-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 87998246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).