1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone

C19H19N3O2 — CID 70680607

IUPAC1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccn2)c2cc(N3CCOCC3)ccn12
InChIInChI=1S/C19H19N3O2/c1-14(23)18-13-16(17-4-2-3-6-20-17)19-12-15(5-7-22(18)19)21-8-10-24-11-9-21/h2-7,12-13H,8-11H2,1H3
InChIKeyJNCJVBDKESBLNW-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.04
Rot. Bonds3

About 1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone

1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone (PubChem CID 70680607) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone.

Molecular Properties

Compound Name1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone
PubChem CID70680607
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone
SMILESCC(=O)c1cc(-c2ccccn2)c2cc(N3CCOCC3)ccn12
InChIInChI=1S/C19H19N3O2/c1-14(23)18-13-16(17-4-2-3-6-20-17)19-12-15(5-7-22(18)19)21-8-10-24-11-9-21/h2-7,12-13H,8-11H2,1H3
InChIKeyJNCJVBDKESBLNW-UHFFFAOYSA-N
XLogP3.04
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone?
The IUPAC name of 1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone (CID 70680607) is 1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone.
What is the SMILES notation for 1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone?
The canonical SMILES for 1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone is CC(=O)c1cc(-c2ccccn2)c2cc(N3CCOCC3)ccn12.
What is the InChIKey of 1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone?
The InChIKey is JNCJVBDKESBLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(23)18-13-16(17-4-2-3-6-20-17)19-12-15(5-7-22(18)19)21-8-10-24-11-9-21/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone?
1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone has a molecular weight of 321.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone is sourced from PubChem (CID 70680607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).