6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline

C21H20N2O4 — CID 54768186

IUPAC6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline
SMILESCOc1ccc2nc(-n3ccc4c(OC)c(OC)c(OC)cc43)ccc2c1
InChIInChI=1S/C21H20N2O4/c1-24-14-6-7-16-13(11-14)5-8-19(22-16)23-10-9-15-17(23)12-18(25-2)21(27-4)20(15)26-3/h5-12H,1-4H3
InChIKeyHLZSZPSMLWCZKJ-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.21
Rot. Bonds5

About 6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline

6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline (PubChem CID 54768186) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline.

Molecular Properties

Compound Name6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline
PubChem CID54768186
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline
SMILESCOc1ccc2nc(-n3ccc4c(OC)c(OC)c(OC)cc43)ccc2c1
InChIInChI=1S/C21H20N2O4/c1-24-14-6-7-16-13(11-14)5-8-19(22-16)23-10-9-15-17(23)12-18(25-2)21(27-4)20(15)26-3/h5-12H,1-4H3
InChIKeyHLZSZPSMLWCZKJ-UHFFFAOYSA-N
XLogP4.21
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline?
The IUPAC name of 6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline (CID 54768186) is 6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline.
What is the SMILES notation for 6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline?
The canonical SMILES for 6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline is COc1ccc2nc(-n3ccc4c(OC)c(OC)c(OC)cc43)ccc2c1.
What is the InChIKey of 6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline?
The InChIKey is HLZSZPSMLWCZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4/c1-24-14-6-7-16-13(11-14)5-8-19(22-16)23-10-9-15-17(23)12-18(25-2)21(27-4)20(15)26-3/h5-12H,1-4H3.
What are the key properties of 6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline?
6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline has a molecular weight of 364.40 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4,5,6-trimethoxyindol-1-yl)quinoline is sourced from PubChem (CID 54768186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).