7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline

C26H20N6 — CID 86566631

IUPAC7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCc1cc2ncccc2cc1C(C)n1cnc2ncc(-c3cnc4ccccc4c3)nc21
InChIInChI=1S/C26H20N6/c1-16-10-23-19(7-5-9-27-23)12-21(16)17(2)32-15-30-25-26(32)31-24(14-29-25)20-11-18-6-3-4-8-22(18)28-13-20/h3-15,17H,1-2H3
InChIKeyDUFHSDMKVRQMJP-UHFFFAOYSA-N
MW416.49 g/mol
LogP5.51
Rot. Bonds3

About 7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline

7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (PubChem CID 86566631) has the molecular formula C26H20N6 and a molecular weight of 416.49 g/mol. Its IUPAC name is 7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.

Molecular Properties

Compound Name7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
PubChem CID86566631
Molecular FormulaC26H20N6
Molecular Weight416.49 g/mol
Exact Mass416.17
IUPAC Name7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline
SMILESCc1cc2ncccc2cc1C(C)n1cnc2ncc(-c3cnc4ccccc4c3)nc21
InChIInChI=1S/C26H20N6/c1-16-10-23-19(7-5-9-27-23)12-21(16)17(2)32-15-30-25-26(32)31-24(14-29-25)20-11-18-6-3-4-8-22(18)28-13-20/h3-15,17H,1-2H3
InChIKeyDUFHSDMKVRQMJP-UHFFFAOYSA-N
XLogP5.51
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.49
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The IUPAC name of 7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline (CID 86566631) is 7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline.
What is the SMILES notation for 7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The canonical SMILES for 7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is Cc1cc2ncccc2cc1C(C)n1cnc2ncc(-c3cnc4ccccc4c3)nc21.
What is the InChIKey of 7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
The InChIKey is DUFHSDMKVRQMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6/c1-16-10-23-19(7-5-9-27-23)12-21(16)17(2)32-15-30-25-26(32)31-24(14-29-25)20-11-18-6-3-4-8-22(18)28-13-20/h3-15,17H,1-2H3.
What are the key properties of 7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline?
7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline has a molecular weight of 416.49 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[1-(5-quinolin-3-ylimidazo[4,5-b]pyrazin-3-yl)ethyl]quinoline is sourced from PubChem (CID 86566631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).