2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline

C21H20N6 — CID 57415016

IUPAC2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
SMILESCc1ncc(C)n2cc(CCc3nc4c5cccnc5ccc4n3C)nc12
InChIInChI=1S/C21H20N6/c1-13-11-23-14(2)21-24-15(12-27(13)21)6-9-19-25-20-16-5-4-10-22-17(16)7-8-18(20)26(19)3/h4-5,7-8,10-12H,6,9H2,1-3H3
InChIKeyLONDHTKWZYHACJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.57
Rot. Bonds3

About 2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline

2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline (PubChem CID 57415016) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline.

Molecular Properties

Compound Name2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
PubChem CID57415016
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC Name2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline
SMILESCc1ncc(C)n2cc(CCc3nc4c5cccnc5ccc4n3C)nc12
InChIInChI=1S/C21H20N6/c1-13-11-23-14(2)21-24-15(12-27(13)21)6-9-19-25-20-16-5-4-10-22-17(16)7-8-18(20)26(19)3/h4-5,7-8,10-12H,6,9H2,1-3H3
InChIKeyLONDHTKWZYHACJ-UHFFFAOYSA-N
XLogP3.57
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The IUPAC name of 2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline (CID 57415016) is 2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline.
What is the SMILES notation for 2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The canonical SMILES for 2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline is Cc1ncc(C)n2cc(CCc3nc4c5cccnc5ccc4n3C)nc12.
What is the InChIKey of 2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
The InChIKey is LONDHTKWZYHACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6/c1-13-11-23-14(2)21-24-15(12-27(13)21)6-9-19-25-20-16-5-4-10-22-17(16)7-8-18(20)26(19)3/h4-5,7-8,10-12H,6,9H2,1-3H3.
What are the key properties of 2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline?
2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline has a molecular weight of 356.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5,8-dimethylimidazo[1,2-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-f]quinoline is sourced from PubChem (CID 57415016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).