1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone

C22H24N2O3 — CID 3621648

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone
SMILESO=C(COCC(=O)N1CCc2ccccc2C1)N1CCc2ccccc2C1
InChIInChI=1S/C22H24N2O3/c25-21(23-11-9-17-5-1-3-7-19(17)13-23)15-27-16-22(26)24-12-10-18-6-2-4-8-20(18)14-24/h1-8H,9-16H2
InChIKeyMHTAZPAMKIJKMJ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.17
Rot. Bonds4

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone (PubChem CID 3621648) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone
PubChem CID3621648
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone
SMILESO=C(COCC(=O)N1CCc2ccccc2C1)N1CCc2ccccc2C1
InChIInChI=1S/C22H24N2O3/c25-21(23-11-9-17-5-1-3-7-19(17)13-23)15-27-16-22(26)24-12-10-18-6-2-4-8-20(18)14-24/h1-8H,9-16H2
InChIKeyMHTAZPAMKIJKMJ-UHFFFAOYSA-N
XLogP2.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone (CID 3621648) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone is O=C(COCC(=O)N1CCc2ccccc2C1)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone?
The InChIKey is MHTAZPAMKIJKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21(23-11-9-17-5-1-3-7-19(17)13-23)15-27-16-22(26)24-12-10-18-6-2-4-8-20(18)14-24/h1-8H,9-16H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone has a molecular weight of 364.45 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]ethanone is sourced from PubChem (CID 3621648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).