7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one

C17H26N2O2 — CID 141485889

IUPAC7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCCN(CC)CCCOc1ccc2c(c1)C(=O)N(C)CC2
InChIInChI=1S/C17H26N2O2/c1-4-19(5-2)10-6-12-21-15-8-7-14-9-11-18(3)17(20)16(14)13-15/h7-8,13H,4-6,9-12H2,1-3H3
InChIKeyLUBKEROYESUCRW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.43
Rot. Bonds7

About 7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one

7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one (PubChem CID 141485889) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
PubChem CID141485889
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one
SMILESCCN(CC)CCCOc1ccc2c(c1)C(=O)N(C)CC2
InChIInChI=1S/C17H26N2O2/c1-4-19(5-2)10-6-12-21-15-8-7-14-9-11-18(3)17(20)16(14)13-15/h7-8,13H,4-6,9-12H2,1-3H3
InChIKeyLUBKEROYESUCRW-UHFFFAOYSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one (CID 141485889) is 7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one is CCN(CC)CCCOc1ccc2c(c1)C(=O)N(C)CC2.
What is the InChIKey of 7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is LUBKEROYESUCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-19(5-2)10-6-12-21-15-8-7-14-9-11-18(3)17(20)16(14)13-15/h7-8,13H,4-6,9-12H2,1-3H3.
What are the key properties of 7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one?
7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(diethylamino)propoxy]-2-methyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 141485889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).