4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one

C15H17N3O — CID 104505155

IUPAC4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one
SMILESCCN1C(=O)CC(N)C1c1cncc2ccccc12
InChIInChI=1S/C15H17N3O/c1-2-18-14(19)7-13(16)15(18)12-9-17-8-10-5-3-4-6-11(10)12/h3-6,8-9,13,15H,2,7,16H2,1H3
InChIKeyGFUOIMQPRPQEQW-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.86
Rot. Bonds2

About 4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one

4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one (PubChem CID 104505155) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one
PubChem CID104505155
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one
SMILESCCN1C(=O)CC(N)C1c1cncc2ccccc12
InChIInChI=1S/C15H17N3O/c1-2-18-14(19)7-13(16)15(18)12-9-17-8-10-5-3-4-6-11(10)12/h3-6,8-9,13,15H,2,7,16H2,1H3
InChIKeyGFUOIMQPRPQEQW-UHFFFAOYSA-N
XLogP1.86
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one?
The IUPAC name of 4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one (CID 104505155) is 4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one?
The canonical SMILES for 4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one is CCN1C(=O)CC(N)C1c1cncc2ccccc12.
What is the InChIKey of 4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one?
The InChIKey is GFUOIMQPRPQEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-18-14(19)7-13(16)15(18)12-9-17-8-10-5-3-4-6-11(10)12/h3-6,8-9,13,15H,2,7,16H2,1H3.
What are the key properties of 4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one?
4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one has a molecular weight of 255.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 104505155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).