[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone

C23H22ClN3O — CID 67669531

IUPAC[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone
SMILESNn1cc(C2=CCN3CCCC3C2)c2cc(C(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C23H22ClN3O/c24-21-6-2-1-5-18(21)23(28)16-7-8-22-19(13-16)20(14-27(22)25)15-9-11-26-10-3-4-17(26)12-15/h1-2,5-9,13-14,17H,3-4,10-12,25H2
InChIKeyWYRNCJVFDFIPSI-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.49
Rot. Bonds3

About [3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone

[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone (PubChem CID 67669531) has the molecular formula C23H22ClN3O and a molecular weight of 391.90 g/mol. Its IUPAC name is [3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone
PubChem CID67669531
Molecular FormulaC23H22ClN3O
Molecular Weight391.90 g/mol
Exact Mass391.15
IUPAC Name[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone
SMILESNn1cc(C2=CCN3CCCC3C2)c2cc(C(=O)c3ccccc3Cl)ccc21
InChIInChI=1S/C23H22ClN3O/c24-21-6-2-1-5-18(21)23(28)16-7-8-22-19(13-16)20(14-27(22)25)15-9-11-26-10-3-4-17(26)12-15/h1-2,5-9,13-14,17H,3-4,10-12,25H2
InChIKeyWYRNCJVFDFIPSI-UHFFFAOYSA-N
XLogP4.49
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone?
The IUPAC name of [3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone (CID 67669531) is [3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone.
What is the SMILES notation for [3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone?
The canonical SMILES for [3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone is Nn1cc(C2=CCN3CCCC3C2)c2cc(C(=O)c3ccccc3Cl)ccc21.
What is the InChIKey of [3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone?
The InChIKey is WYRNCJVFDFIPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O/c24-21-6-2-1-5-18(21)23(28)16-7-8-22-19(13-16)20(14-27(22)25)15-9-11-26-10-3-4-17(26)12-15/h1-2,5-9,13-14,17H,3-4,10-12,25H2.
What are the key properties of [3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone?
[3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone has a molecular weight of 391.90 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,2,3,5,8,8a-hexahydroindolizin-7-yl)-1-aminoindol-5-yl]-(2-chlorophenyl)methanone is sourced from PubChem (CID 67669531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).