5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one

C22H22N2O3 — CID 7293171

IUPAC5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one
SMILESCCCn1ccc2c(OCC(=O)N3CCc4ccccc43)cccc2c1=O
InChIInChI=1S/C22H22N2O3/c1-2-12-23-13-11-17-18(22(23)26)7-5-9-20(17)27-15-21(25)24-14-10-16-6-3-4-8-19(16)24/h3-9,11,13H,2,10,12,14-15H2,1H3
InChIKeyILZKSDNQJWLXRF-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.38
Rot. Bonds5

About 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one

5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one (PubChem CID 7293171) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one.

Molecular Properties

Compound Name5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one
PubChem CID7293171
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one
SMILESCCCn1ccc2c(OCC(=O)N3CCc4ccccc43)cccc2c1=O
InChIInChI=1S/C22H22N2O3/c1-2-12-23-13-11-17-18(22(23)26)7-5-9-20(17)27-15-21(25)24-14-10-16-6-3-4-8-19(16)24/h3-9,11,13H,2,10,12,14-15H2,1H3
InChIKeyILZKSDNQJWLXRF-UHFFFAOYSA-N
XLogP3.38
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149525
ethyl 2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate
CID 2149376
N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293222
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293213
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one
CID 2151958
5-prop-2-enoxy-2-propylisoquinolin-1-one
CID 43985528
1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
CID 757469
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
N-(oxolan-2-ylmethyl)-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 43985264
5-butoxy-2-(2-methoxyethyl)isoquinolin-1-one
CID 43985585

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one?
The IUPAC name of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one (CID 7293171) is 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one.
What is the SMILES notation for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one?
The canonical SMILES for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one is CCCn1ccc2c(OCC(=O)N3CCc4ccccc43)cccc2c1=O.
What is the InChIKey of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one?
The InChIKey is ILZKSDNQJWLXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-2-12-23-13-11-17-18(22(23)26)7-5-9-20(17)27-15-21(25)24-14-10-16-6-3-4-8-19(16)24/h3-9,11,13H,2,10,12,14-15H2,1H3.
What are the key properties of 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one?
5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one has a molecular weight of 362.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-2-propylisoquinolin-1-one is sourced from PubChem (CID 7293171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).