8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine

C20H24N6O2 — CID 22036290

IUPAC8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine
SMILESCC1CNCCN1c1nccnc1OCCOc1cccc2ccc(N)nc12
InChIInChI=1S/C20H24N6O2/c1-14-13-22-9-10-26(14)19-20(24-8-7-23-19)28-12-11-27-16-4-2-3-15-5-6-17(21)25-18(15)16/h2-8,14,22H,9-13H2,1H3,(H2,21,25)
InChIKeyYMEIWFDMFLIJDP-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.86
Rot. Bonds6

About 8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine

8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine (PubChem CID 22036290) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine.

Molecular Properties

Compound Name8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine
PubChem CID22036290
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine
SMILESCC1CNCCN1c1nccnc1OCCOc1cccc2ccc(N)nc12
InChIInChI=1S/C20H24N6O2/c1-14-13-22-9-10-26(14)19-20(24-8-7-23-19)28-12-11-27-16-4-2-3-15-5-6-17(21)25-18(15)16/h2-8,14,22H,9-13H2,1H3,(H2,21,25)
InChIKeyYMEIWFDMFLIJDP-UHFFFAOYSA-N
XLogP1.86
TPSA98.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine?
The IUPAC name of 8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine (CID 22036290) is 8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine.
What is the SMILES notation for 8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine?
The canonical SMILES for 8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine is CC1CNCCN1c1nccnc1OCCOc1cccc2ccc(N)nc12.
What is the InChIKey of 8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine?
The InChIKey is YMEIWFDMFLIJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-14-13-22-9-10-26(14)19-20(24-8-7-23-19)28-12-11-27-16-4-2-3-15-5-6-17(21)25-18(15)16/h2-8,14,22H,9-13H2,1H3,(H2,21,25).
What are the key properties of 8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine?
8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine has a molecular weight of 380.45 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-(2-methylpiperazin-1-yl)pyrazin-2-yl]oxyethoxy]quinolin-2-amine is sourced from PubChem (CID 22036290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).