6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione

C19H14N2O2 — CID 22461862

IUPAC6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione
SMILESCc1c(C2=CC(=O)c3ncccc3C2=O)c2ccccc2n1C
InChIInChI=1S/C19H14N2O2/c1-11-17(12-6-3-4-8-15(12)21(11)2)14-10-16(22)18-13(19(14)23)7-5-9-20-18/h3-10H,1-2H3
InChIKeyWGKCCSUDRSRRNS-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.34
Rot. Bonds1

About 6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione

6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione (PubChem CID 22461862) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione.

Molecular Properties

Compound Name6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione
PubChem CID22461862
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione
SMILESCc1c(C2=CC(=O)c3ncccc3C2=O)c2ccccc2n1C
InChIInChI=1S/C19H14N2O2/c1-11-17(12-6-3-4-8-15(12)21(11)2)14-10-16(22)18-13(19(14)23)7-5-9-20-18/h3-10H,1-2H3
InChIKeyWGKCCSUDRSRRNS-UHFFFAOYSA-N
XLogP3.34
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione?
The IUPAC name of 6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione (CID 22461862) is 6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione.
What is the SMILES notation for 6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione?
The canonical SMILES for 6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione is Cc1c(C2=CC(=O)c3ncccc3C2=O)c2ccccc2n1C.
What is the InChIKey of 6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione?
The InChIKey is WGKCCSUDRSRRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c1-11-17(12-6-3-4-8-15(12)21(11)2)14-10-16(22)18-13(19(14)23)7-5-9-20-18/h3-10H,1-2H3.
What are the key properties of 6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione?
6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione has a molecular weight of 302.33 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2-dimethylindol-3-yl)quinoline-5,8-dione is sourced from PubChem (CID 22461862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).