methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate

C22H20N2O5 — CID 2149525

IUPACmethyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
SMILESCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCc4ccccc43)ccc12
InChIInChI=1S/C22H20N2O5/c1-28-21(26)14-29-19-8-4-6-17-16(19)10-11-23(22(17)27)13-20(25)24-12-9-15-5-2-3-7-18(15)24/h2-8,10-11H,9,12-14H2,1H3
InChIKeySXSZMOVLKCBQJG-UHFFFAOYSA-N
MW392.41 g/mol
LogP2.14
Rot. Bonds5

About methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate

methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate (PubChem CID 2149525) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
PubChem CID2149525
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Namemethyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
SMILESCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCc4ccccc43)ccc12
InChIInChI=1S/C22H20N2O5/c1-28-21(26)14-29-19-8-4-6-17-16(19)10-11-23(22(17)27)13-20(25)24-12-9-15-5-2-3-7-18(15)24/h2-8,10-11H,9,12-14H2,1H3
InChIKeySXSZMOVLKCBQJG-UHFFFAOYSA-N
XLogP2.14
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate with MolForge

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Related Compounds

ethyl 2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149376
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one
CID 7293171
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
methyl 2-[2-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 4293895
N-(2,3-dihydroindole-1-carbothioyl)-2-naphthalen-1-yloxyacetamide
CID 3392221
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one
CID 2151958
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
CID 3245732
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
2-(2-ethyl-1-oxoisoquinolin-5-yl)oxy-N-methylacetamide
CID 7293155
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
ethyl 2-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149405

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The IUPAC name of methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate (CID 2149525) is methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate.
What is the SMILES notation for methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The canonical SMILES for methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is COC(=O)COc1cccc2c(=O)n(CC(=O)N3CCc4ccccc43)ccc12.
What is the InChIKey of methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
The InChIKey is SXSZMOVLKCBQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-28-21(26)14-29-19-8-4-6-17-16(19)10-11-23(22(17)27)13-20(25)24-12-9-15-5-2-3-7-18(15)24/h2-8,10-11H,9,12-14H2,1H3.
What are the key properties of methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate?
methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate has a molecular weight of 392.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate is sourced from PubChem (CID 2149525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).