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

C20H18N2O3 — CID 54768224

IUPAC5-(4,5,6-trimethoxyindol-1-yl)quinoline
SMILESCOc1cc2c(ccn2-c2cccc3ncccc23)c(OC)c1OC
InChIInChI=1S/C20H18N2O3/c1-23-18-12-17-14(19(24-2)20(18)25-3)9-11-22(17)16-8-4-7-15-13(16)6-5-10-21-15/h4-12H,1-3H3
InChIKeyXYSCOCBQQAJTGY-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.20
Rot. Bonds4

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

5-(4,5,6-trimethoxyindol-1-yl)quinoline (PubChem CID 54768224) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(4,5,6-trimethoxyindol-1-yl)quinoline.

Molecular Properties

Compound Name5-(4,5,6-trimethoxyindol-1-yl)quinoline
PubChem CID54768224
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name5-(4,5,6-trimethoxyindol-1-yl)quinoline
SMILESCOc1cc2c(ccn2-c2cccc3ncccc23)c(OC)c1OC
InChIInChI=1S/C20H18N2O3/c1-23-18-12-17-14(19(24-2)20(18)25-3)9-11-22(17)16-8-4-7-15-13(16)6-5-10-21-15/h4-12H,1-3H3
InChIKeyXYSCOCBQQAJTGY-UHFFFAOYSA-N
XLogP4.20
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5,6-trimethoxyindol-1-yl)quinoline?
The IUPAC name of 5-(4,5,6-trimethoxyindol-1-yl)quinoline (CID 54768224) is 5-(4,5,6-trimethoxyindol-1-yl)quinoline.
What is the SMILES notation for 5-(4,5,6-trimethoxyindol-1-yl)quinoline?
The canonical SMILES for 5-(4,5,6-trimethoxyindol-1-yl)quinoline is COc1cc2c(ccn2-c2cccc3ncccc23)c(OC)c1OC.
What is the InChIKey of 5-(4,5,6-trimethoxyindol-1-yl)quinoline?
The InChIKey is XYSCOCBQQAJTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-23-18-12-17-14(19(24-2)20(18)25-3)9-11-22(17)16-8-4-7-15-13(16)6-5-10-21-15/h4-12H,1-3H3.
What are the key properties of 5-(4,5,6-trimethoxyindol-1-yl)quinoline?
5-(4,5,6-trimethoxyindol-1-yl)quinoline has a molecular weight of 334.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5,6-trimethoxyindol-1-yl)quinoline is sourced from PubChem (CID 54768224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).