3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole

C18H18N2O2 — CID 162674472

IUPAC3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole
SMILESC=C(c1cc(OC)nc(OC)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C18H18N2O2/c1-12(13-9-17(21-3)19-18(10-13)22-4)15-11-20(2)16-8-6-5-7-14(15)16/h5-11H,1H2,2-4H3
InChIKeyRWHZYXQQTDWMLW-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.65
Rot. Bonds4

About 3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole

3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole (PubChem CID 162674472) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole.

Molecular Properties

Compound Name3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole
PubChem CID162674472
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole
SMILESC=C(c1cc(OC)nc(OC)c1)c1cn(C)c2ccccc12
InChIInChI=1S/C18H18N2O2/c1-12(13-9-17(21-3)19-18(10-13)22-4)15-11-20(2)16-8-6-5-7-14(15)16/h5-11H,1H2,2-4H3
InChIKeyRWHZYXQQTDWMLW-UHFFFAOYSA-N
XLogP3.65
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole?
The IUPAC name of 3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole (CID 162674472) is 3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole.
What is the SMILES notation for 3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole?
The canonical SMILES for 3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole is C=C(c1cc(OC)nc(OC)c1)c1cn(C)c2ccccc12.
What is the InChIKey of 3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole?
The InChIKey is RWHZYXQQTDWMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(13-9-17(21-3)19-18(10-13)22-4)15-11-20(2)16-8-6-5-7-14(15)16/h5-11H,1H2,2-4H3.
What are the key properties of 3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole?
3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole has a molecular weight of 294.35 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-dimethoxy-4-pyridinyl)ethenyl]-1-methylindole is sourced from PubChem (CID 162674472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).