5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one

C21H22N2O3 — CID 2151958

IUPAC5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one
SMILESCCN1CCc2c(OCC(=O)N3CCc4ccccc43)cccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-2-22-12-11-16-17(21(22)25)7-5-9-19(16)26-14-20(24)23-13-10-15-6-3-4-8-18(15)23/h3-9H,2,10-14H2,1H3
InChIKeyRDBNKGCRXVIOIE-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.67
Rot. Bonds4

About 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one

5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one (PubChem CID 2151958) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one
PubChem CID2151958
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one
SMILESCCN1CCc2c(OCC(=O)N3CCc4ccccc43)cccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-2-22-12-11-16-17(21(22)25)7-5-9-19(16)26-14-20(24)23-13-10-15-6-3-4-8-18(15)23/h3-9H,2,10-14H2,1H3
InChIKeyRDBNKGCRXVIOIE-UHFFFAOYSA-N
XLogP2.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
N-(3,5-dimethylphenyl)-2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]acetamide
CID 2151972
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one
CID 7293171
1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
CID 757469
2-[(2-ethyl-1-oxo-3,4-dihydroisoquinolin-5-yl)oxy]-N-(furan-2-ylmethyl)acetamide
CID 2151971
2-[(1-pentanoyl-2,3-dihydroindol-4-yl)oxy]acetic acid
CID 59281726
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylphenoxy)ethanone
CID 7919443
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(5-acetyl-2,3-dihydroindol-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 110737370
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
2-ethyl-5-hydroxy-3,4-dihydroisoquinolin-1-one
CID 71778155
3-[7-[4-(2,3-dihydroindol-1-yl)-4-oxobutoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146480004

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one (CID 2151958) is 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one is CCN1CCc2c(OCC(=O)N3CCc4ccccc43)cccc2C1=O.
What is the InChIKey of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is RDBNKGCRXVIOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-2-22-12-11-16-17(21(22)25)7-5-9-19(16)26-14-20(24)23-13-10-15-6-3-4-8-18(15)23/h3-9H,2,10-14H2,1H3.
What are the key properties of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one?
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 350.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 2151958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).