6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione

C15H12N2O3 — CID 61356418

IUPAC6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione
SMILESCOc1ccc2c(c1)N(Cc1ccccn1)C(=O)C2=O
InChIInChI=1S/C15H12N2O3/c1-20-11-5-6-12-13(8-11)17(15(19)14(12)18)9-10-4-2-3-7-16-10/h2-8H,9H2,1H3
InChIKeyRQIWUZGGOYEVSY-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.82
Rot. Bonds3

About 6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione

6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione (PubChem CID 61356418) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione
PubChem CID61356418
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione
SMILESCOc1ccc2c(c1)N(Cc1ccccn1)C(=O)C2=O
InChIInChI=1S/C15H12N2O3/c1-20-11-5-6-12-13(8-11)17(15(19)14(12)18)9-10-4-2-3-7-16-10/h2-8H,9H2,1H3
InChIKeyRQIWUZGGOYEVSY-UHFFFAOYSA-N
XLogP1.82
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione?
The IUPAC name of 6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione (CID 61356418) is 6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione?
The canonical SMILES for 6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione is COc1ccc2c(c1)N(Cc1ccccn1)C(=O)C2=O.
What is the InChIKey of 6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione?
The InChIKey is RQIWUZGGOYEVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-20-11-5-6-12-13(8-11)17(15(19)14(12)18)9-10-4-2-3-7-16-10/h2-8H,9H2,1H3.
What are the key properties of 6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione?
6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione has a molecular weight of 268.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(pyridin-2-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 61356418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).