1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone

C20H18N2O2 — CID 651089

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone
SMILESO=C(COc1cccc2cccnc12)N1CCc2ccccc2C1
InChIInChI=1S/C20H18N2O2/c23-19(22-12-10-15-5-1-2-6-17(15)13-22)14-24-18-9-3-7-16-8-4-11-21-20(16)18/h1-9,11H,10,12-14H2
InChIKeyICRAHDSBKICLPE-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.20
Rot. Bonds3

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone (PubChem CID 651089) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone
PubChem CID651089
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone
SMILESO=C(COc1cccc2cccnc12)N1CCc2ccccc2C1
InChIInChI=1S/C20H18N2O2/c23-19(22-12-10-15-5-1-2-6-17(15)13-22)14-24-18-9-3-7-16-8-4-11-21-20(16)18/h1-9,11H,10,12-14H2
InChIKeyICRAHDSBKICLPE-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.20
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-quinolin-8-yloxyethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone (CID 651089) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone is O=C(COc1cccc2cccnc12)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone?
The InChIKey is ICRAHDSBKICLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c23-19(22-12-10-15-5-1-2-6-17(15)13-22)14-24-18-9-3-7-16-8-4-11-21-20(16)18/h1-9,11H,10,12-14H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-quinolin-8-yloxyethanone has a molecular weight of 318.38 g/mol, XLogP of 3.20, 3 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-quinolin-8-yloxyethanone is sourced from PubChem (CID 651089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).