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

C22H24N2O3 — CID 2151959

IUPAC5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one
SMILESCCN1CCc2c(OCC(=O)N3CCCc4ccccc43)cccc2C1=O
InChIInChI=1S/C22H24N2O3/c1-2-23-14-12-17-18(22(23)26)9-5-11-20(17)27-15-21(25)24-13-6-8-16-7-3-4-10-19(16)24/h3-5,7,9-11H,2,6,8,12-15H2,1H3
InChIKeyQNQJRDNUPLANJI-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.06
Rot. Bonds4

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

5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one (PubChem CID 2151959) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one
PubChem CID2151959
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one
SMILESCCN1CCc2c(OCC(=O)N3CCCc4ccccc43)cccc2C1=O
InChIInChI=1S/C22H24N2O3/c1-2-23-14-12-17-18(22(23)26)9-5-11-20(17)27-15-21(25)24-13-6-8-16-7-3-4-10-19(16)24/h3-5,7,9-11H,2,6,8,12-15H2,1H3
InChIKeyQNQJRDNUPLANJI-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
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-ethyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one (CID 2151959) is 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one is CCN1CCc2c(OCC(=O)N3CCCc4ccccc43)cccc2C1=O.
What is the InChIKey of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is QNQJRDNUPLANJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-23-14-12-17-18(22(23)26)9-5-11-20(17)27-15-21(25)24-13-6-8-16-7-3-4-10-19(16)24/h3-5,7,9-11H,2,6,8,12-15H2,1H3.
What are the key properties of 5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one?
5-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-2-ethyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 364.45 g/mol, XLogP of 3.06, 4 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-ethyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 2151959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).