4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine

C26H30N4O5 — CID 155559885

IUPAC4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine
SMILESNc1cc(OCCOCCOCCOCCOc2cc(N)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C26H30N4O5/c27-25-17-23(19-5-1-3-7-21(19)29-25)34-15-13-32-11-9-31-10-12-33-14-16-35-24-18-26(28)30-22-8-4-2-6-20(22)24/h1-8,17-18H,9-16H2,(H2,27,29)(H2,28,30)
InChIKeyQUARESYILPYSMH-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.45
Rot. Bonds14

About 4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine

4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine (PubChem CID 155559885) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine.

Molecular Properties

Compound Name4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine
PubChem CID155559885
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Name4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine
SMILESNc1cc(OCCOCCOCCOCCOc2cc(N)nc3ccccc23)c2ccccc2n1
InChIInChI=1S/C26H30N4O5/c27-25-17-23(19-5-1-3-7-21(19)29-25)34-15-13-32-11-9-31-10-12-33-14-16-35-24-18-26(28)30-22-8-4-2-6-20(22)24/h1-8,17-18H,9-16H2,(H2,27,29)(H2,28,30)
InChIKeyQUARESYILPYSMH-UHFFFAOYSA-N
XLogP3.45
TPSA123.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.45
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 4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine?
The IUPAC name of 4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine (CID 155559885) is 4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine.
What is the SMILES notation for 4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine?
The canonical SMILES for 4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine is Nc1cc(OCCOCCOCCOCCOc2cc(N)nc3ccccc23)c2ccccc2n1.
What is the InChIKey of 4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine?
The InChIKey is QUARESYILPYSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c27-25-17-23(19-5-1-3-7-21(19)29-25)34-15-13-32-11-9-31-10-12-33-14-16-35-24-18-26(28)30-22-8-4-2-6-20(22)24/h1-8,17-18H,9-16H2,(H2,27,29)(H2,28,30).
What are the key properties of 4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine?
4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine has a molecular weight of 478.55 g/mol, XLogP of 3.45, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[2-(2-aminoquinolin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]quinolin-2-amine is sourced from PubChem (CID 155559885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).