(6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H19NO5 — CID 11595309

IUPAC(6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)ccn2c1
InChIInChI=1S/C19H19NO5/c1-22-13-5-6-15-14(7-8-20(15)11-13)18(21)12-9-16(23-2)19(25-4)17(10-12)24-3/h5-11H,1-4H3
InChIKeyZHALQMKYQAWAHG-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.20
Rot. Bonds6

About (6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11595309) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11595309
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)ccn2c1
InChIInChI=1S/C19H19NO5/c1-22-13-5-6-15-14(7-8-20(15)11-13)18(21)12-9-16(23-2)19(25-4)17(10-12)24-3/h5-11H,1-4H3
InChIKeyZHALQMKYQAWAHG-UHFFFAOYSA-N
XLogP3.20
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 11595309) is (6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)ccn2c1.
What is the InChIKey of (6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is ZHALQMKYQAWAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-13-5-6-15-14(7-8-20(15)11-13)18(21)12-9-16(23-2)19(25-4)17(10-12)24-3/h5-11H,1-4H3.
What are the key properties of (6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 341.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxyindolizin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11595309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).