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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Related Compounds

CID 16007289
CID 16007289
CID 118726539
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CID 22341045
CID 22341045
CID 22341047
CID 22341047
CID 22341144
CID 22341144
CID 20821273
CID 20821273
CID 22341129
CID 22341129
CID 118726524
CID 118726524
CID 118726523
CID 118726523
CID 172436062
CID 172436062
CID 172437997
CID 172437997
CID 172438445
CID 172438445

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).