[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

C22H19NO6 — CID 2365388

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OCC(=O)N3CCc4ccccc43)ccc12
InChIInChI=1S/C22H19NO6/c1-14-10-21(25)29-19-11-16(6-7-17(14)19)27-13-22(26)28-12-20(24)23-9-8-15-4-2-3-5-18(15)23/h2-7,10-11H,8-9,12-13H2,1H3
InChIKeyMHUIVQQCDRNYBM-UHFFFAOYSA-N
MW393.40 g/mol
LogP2.61
Rot. Bonds5

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (PubChem CID 2365388) has the molecular formula C22H19NO6 and a molecular weight of 393.40 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
PubChem CID2365388
Molecular FormulaC22H19NO6
Molecular Weight393.40 g/mol
Exact Mass393.12
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILESCc1cc(=O)oc2cc(OCC(=O)OCC(=O)N3CCc4ccccc43)ccc12
InChIInChI=1S/C22H19NO6/c1-14-10-21(25)29-19-11-16(6-7-17(14)19)27-13-22(26)28-12-20(24)23-9-8-15-4-2-3-5-18(15)23/h2-7,10-11H,8-9,12-13H2,1H3
InChIKeyMHUIVQQCDRNYBM-UHFFFAOYSA-N
XLogP2.61
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate (CID 2365388) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)N3CCc4ccccc43)ccc12.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
The InChIKey is MHUIVQQCDRNYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO6/c1-14-10-21(25)29-19-11-16(6-7-17(14)19)27-13-22(26)28-12-20(24)23-9-8-15-4-2-3-5-18(15)23/h2-7,10-11H,8-9,12-13H2,1H3.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate has a molecular weight of 393.40 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate is sourced from PubChem (CID 2365388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).