2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole

C22H20N2O2 — CID 25058205

IUPAC2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole
SMILESCOc1ccc(-c2c(-c3ccc(OC)nc3)c3ccccc3n2C)cc1
InChIInChI=1S/C22H20N2O2/c1-24-19-7-5-4-6-18(19)21(16-10-13-20(26-3)23-14-16)22(24)15-8-11-17(25-2)12-9-15/h4-14H,1-3H3
InChIKeyXXAUGGXOUQRNDJ-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.92
Rot. Bonds4

About 2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole

2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole (PubChem CID 25058205) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole
PubChem CID25058205
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole
SMILESCOc1ccc(-c2c(-c3ccc(OC)nc3)c3ccccc3n2C)cc1
InChIInChI=1S/C22H20N2O2/c1-24-19-7-5-4-6-18(19)21(16-10-13-20(26-3)23-14-16)22(24)15-8-11-17(25-2)12-9-15/h4-14H,1-3H3
InChIKeyXXAUGGXOUQRNDJ-UHFFFAOYSA-N
XLogP4.92
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole?
The IUPAC name of 2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole (CID 25058205) is 2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole is COc1ccc(-c2c(-c3ccc(OC)nc3)c3ccccc3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole?
The InChIKey is XXAUGGXOUQRNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-24-19-7-5-4-6-18(19)21(16-10-13-20(26-3)23-14-16)22(24)15-8-11-17(25-2)12-9-15/h4-14H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole?
2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole has a molecular weight of 344.41 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-1-methylindole is sourced from PubChem (CID 25058205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).