1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone

C20H21NO3 — CID 121230107

IUPAC1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3cccc(OC)c3)c2c1
InChIInChI=1S/C20H21NO3/c1-4-10-24-17-8-9-21-19(14(2)22)13-18(20(21)12-17)15-6-5-7-16(11-15)23-3/h5-9,11-13H,4,10H2,1-3H3
InChIKeyQQBGNWWJANJWNY-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.61
Rot. Bonds6

About 1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone

1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone (PubChem CID 121230107) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone
PubChem CID121230107
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3cccc(OC)c3)c2c1
InChIInChI=1S/C20H21NO3/c1-4-10-24-17-8-9-21-19(14(2)22)13-18(20(21)12-17)15-6-5-7-16(11-15)23-3/h5-9,11-13H,4,10H2,1-3H3
InChIKeyQQBGNWWJANJWNY-UHFFFAOYSA-N
XLogP4.61
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone?
The IUPAC name of 1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone (CID 121230107) is 1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone is CCCOc1ccn2c(C(C)=O)cc(-c3cccc(OC)c3)c2c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone?
The InChIKey is QQBGNWWJANJWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-4-10-24-17-8-9-21-19(14(2)22)13-18(20(21)12-17)15-6-5-7-16(11-15)23-3/h5-9,11-13H,4,10H2,1-3H3.
What are the key properties of 1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone?
1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone has a molecular weight of 323.39 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)-7-propoxyindolizin-3-yl]ethanone is sourced from PubChem (CID 121230107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).