3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline

C16H20N2 — CID 71248614

IUPAC3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline
SMILESCCC1=C(C)N(C)C2(C)C=c3ccccc3=CN12
InChIInChI=1S/C16H20N2/c1-5-15-12(2)17(4)16(3)10-13-8-6-7-9-14(13)11-18(15)16/h6-11H,5H2,1-4H3
InChIKeyWFVLJOYTWBMSIA-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.82
Rot. Bonds1

About 3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline

3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline (PubChem CID 71248614) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline.

Molecular Properties

Compound Name3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline
PubChem CID71248614
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline
SMILESCCC1=C(C)N(C)C2(C)C=c3ccccc3=CN12
InChIInChI=1S/C16H20N2/c1-5-15-12(2)17(4)16(3)10-13-8-6-7-9-14(13)11-18(15)16/h6-11H,5H2,1-4H3
InChIKeyWFVLJOYTWBMSIA-UHFFFAOYSA-N
XLogP1.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline?
The IUPAC name of 3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline (CID 71248614) is 3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline.
What is the SMILES notation for 3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline?
The canonical SMILES for 3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline is CCC1=C(C)N(C)C2(C)C=c3ccccc3=CN12.
What is the InChIKey of 3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline?
The InChIKey is WFVLJOYTWBMSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-5-15-12(2)17(4)16(3)10-13-8-6-7-9-14(13)11-18(15)16/h6-11H,5H2,1-4H3.
What are the key properties of 3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline?
3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline has a molecular weight of 240.35 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2,10a-trimethylimidazo[1,2-b]isoquinoline is sourced from PubChem (CID 71248614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).