N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine

C19H28Cl2N4O4S — CID 178135624

IUPACN-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine
SMILESCSc1nc2cc(Cl)c(Cl)cc2nc1NCCOCCOCCOCCOCCN
InChIInChI=1S/C19H28Cl2N4O4S/c1-30-19-18(24-16-12-14(20)15(21)13-17(16)25-19)23-3-5-27-7-9-29-11-10-28-8-6-26-4-2-22/h12-13H,2-11,22H2,1H3,(H,23,24)
InChIKeyCNQUOGYDKWYMNP-UHFFFAOYSA-N
MW479.43 g/mol
LogP3.10
Rot. Bonds16

About N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine

N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine (PubChem CID 178135624) has the molecular formula C19H28Cl2N4O4S and a molecular weight of 479.43 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine
PubChem CID178135624
Molecular FormulaC19H28Cl2N4O4S
Molecular Weight479.43 g/mol
Exact Mass478.12
IUPAC NameN-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine
SMILESCSc1nc2cc(Cl)c(Cl)cc2nc1NCCOCCOCCOCCOCCN
InChIInChI=1S/C19H28Cl2N4O4S/c1-30-19-18(24-16-12-14(20)15(21)13-17(16)25-19)23-3-5-27-7-9-29-11-10-28-8-6-26-4-2-22/h12-13H,2-11,22H2,1H3,(H,23,24)
InChIKeyCNQUOGYDKWYMNP-UHFFFAOYSA-N
XLogP3.10
TPSA100.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine?
The IUPAC name of N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine (CID 178135624) is N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine.
What is the SMILES notation for N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine?
The canonical SMILES for N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine is CSc1nc2cc(Cl)c(Cl)cc2nc1NCCOCCOCCOCCOCCN.
What is the InChIKey of N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine?
The InChIKey is CNQUOGYDKWYMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N4O4S/c1-30-19-18(24-16-12-14(20)15(21)13-17(16)25-19)23-3-5-27-7-9-29-11-10-28-8-6-26-4-2-22/h12-13H,2-11,22H2,1H3,(H,23,24).
What are the key properties of N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine?
N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine has a molecular weight of 479.43 g/mol, XLogP of 3.10, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]-6,7-dichloro-3-methylsulfanylquinoxalin-2-amine is sourced from PubChem (CID 178135624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).