4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one

C15H17N3O — CID 168700186

IUPAC4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(CCc2cccc3cnccc23)C1
InChIInChI=1S/C15H17N3O/c16-13-8-15(19)18(10-13)7-5-11-2-1-3-12-9-17-6-4-14(11)12/h1-4,6,9,13H,5,7-8,10,16H2
InChIKeyAVLUNAWIXQKQKD-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.34
Rot. Bonds3

About 4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one

4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one (PubChem CID 168700186) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one
PubChem CID168700186
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(CCc2cccc3cnccc23)C1
InChIInChI=1S/C15H17N3O/c16-13-8-15(19)18(10-13)7-5-11-2-1-3-12-9-17-6-4-14(11)12/h1-4,6,9,13H,5,7-8,10,16H2
InChIKeyAVLUNAWIXQKQKD-UHFFFAOYSA-N
XLogP1.34
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-isoquinolin-5-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670980
S-[[1-(2-isoquinolin-5-ylethyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667651
4-(hydroxymethyl)-1-(2-naphthalen-1-ylethyl)pyrrolidin-2-one
CID 168663115
1-(2-naphthalen-1-ylethyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671011
1-(2-naphthalen-1-ylethyl)-4-sulfanylpyrrolidin-2-one
CID 168709415
1-(2-isoquinolin-4-ylethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691402
2-[2-(4-amino-2-oxopyrrolidin-1-yl)ethyl]phthalazin-1-one
CID 168700148
5-(2-piperazin-1-ylethyl)isoquinoline
CID 117355834
3-isoquinolin-5-ylpropanamide
CID 82578287
4-amino-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168700170
4-amino-1-[2-(1H-indol-2-yl)ethyl]pyrrolidin-2-one
CID 168700196
5-(3-chloro-4-methylpentyl)isoquinoline
CID 64506425

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one (CID 168700186) is 4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one is NC1CC(=O)N(CCc2cccc3cnccc23)C1.
What is the InChIKey of 4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one?
The InChIKey is AVLUNAWIXQKQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-13-8-15(19)18(10-13)7-5-11-2-1-3-12-9-17-6-4-14(11)12/h1-4,6,9,13H,5,7-8,10,16H2.
What are the key properties of 4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one?
4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one has a molecular weight of 255.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-isoquinolin-5-ylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168700186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).