2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one

C17H22N2O3 — CID 53147763

IUPAC2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one
SMILESCOCCN1C(=O)Cc2ccccc2C1C(=O)N1CCCC1
InChIInChI=1S/C17H22N2O3/c1-22-11-10-19-15(20)12-13-6-2-3-7-14(13)16(19)17(21)18-8-4-5-9-18/h2-3,6-7,16H,4-5,8-12H2,1H3
InChIKeyJPRKNRDQKJRDLF-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.38
Rot. Bonds4

About 2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one

2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one (PubChem CID 53147763) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one
PubChem CID53147763
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one
SMILESCOCCN1C(=O)Cc2ccccc2C1C(=O)N1CCCC1
InChIInChI=1S/C17H22N2O3/c1-22-11-10-19-15(20)12-13-6-2-3-7-14(13)16(19)17(21)18-8-4-5-9-18/h2-3,6-7,16H,4-5,8-12H2,1H3
InChIKeyJPRKNRDQKJRDLF-UHFFFAOYSA-N
XLogP1.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one?
The IUPAC name of 2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one (CID 53147763) is 2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for 2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one is COCCN1C(=O)Cc2ccccc2C1C(=O)N1CCCC1.
What is the InChIKey of 2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one?
The InChIKey is JPRKNRDQKJRDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-22-11-10-19-15(20)12-13-6-2-3-7-14(13)16(19)17(21)18-8-4-5-9-18/h2-3,6-7,16H,4-5,8-12H2,1H3.
What are the key properties of 2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one?
2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one has a molecular weight of 302.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 53147763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).