5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one

C21H22N2O3 — CID 2151928

IUPAC5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2c(OCC(=O)N3CCCc4ccccc43)cccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-22-13-11-16-17(21(22)25)8-4-10-19(16)26-14-20(24)23-12-5-7-15-6-2-3-9-18(15)23/h2-4,6,8-10H,5,7,11-14H2,1H3
InChIKeyFHAYTRPOUFNWEM-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.67
Rot. Bonds3

About 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one

5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 2151928) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID2151928
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCN1CCc2c(OCC(=O)N3CCCc4ccccc43)cccc2C1=O
InChIInChI=1S/C21H22N2O3/c1-22-13-11-16-17(21(22)25)8-4-10-19(16)26-14-20(24)23-12-5-7-15-6-2-3-9-18(15)23/h2-4,6,8-10H,5,7,11-14H2,1H3
InChIKeyFHAYTRPOUFNWEM-UHFFFAOYSA-N
XLogP2.67
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one (CID 2151928) is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one is CN1CCc2c(OCC(=O)N3CCCc4ccccc43)cccc2C1=O.
What is the InChIKey of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is FHAYTRPOUFNWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-22-13-11-16-17(21(22)25)8-4-10-19(16)26-14-20(24)23-12-5-7-15-6-2-3-9-18(15)23/h2-4,6,8-10H,5,7,11-14H2,1H3.
What are the key properties of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 350.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 2151928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).