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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H22N2O2
Molecular Weight 286.3688
Optical Activity ( - )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[2-[(2S)-2-(Hydroxymethyl)-1-pyrrolidinyl]ethyl]-5-methyl-1(2H)-isoquinolinone

SMILES

CC1=CC=CC2=C1C=C(CCN3CCC[C@H]3CO)NC2=O

InChI

InChIKey=JIODGUURCXVIDC-AWEZNQCLSA-N
InChI=1S/C17H22N2O2/c1-12-4-2-6-15-16(12)10-13(18-17(15)21)7-9-19-8-3-5-14(19)11-20/h2,4,6,10,14,20H,3,5,7-9,11H2,1H3,(H,18,21)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H22N2O2
Molecular Weight 286.3688
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:31:20 GMT 2025
Edited
by admin
on Wed Apr 02 20:31:20 GMT 2025
Record UNII
Q4Y747N3DD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[2-[(2S)-2-(Hydroxymethyl)-1-pyrrolidinyl]ethyl]-5-methyl-1(2H)-isoquinolinone
Systematic Name English
1(2H)-Isoquinolinone, 3-[2-[(2S)-2-(hydroxymethyl)-1-pyrrolidinyl]ethyl]-5-methyl-
Preferred Name English
Code System Code Type Description
PUBCHEM
10401749
Created by admin on Wed Apr 02 20:31:20 GMT 2025 , Edited by admin on Wed Apr 02 20:31:20 GMT 2025
PRIMARY
CAS
680223-42-1
Created by admin on Wed Apr 02 20:31:20 GMT 2025 , Edited by admin on Wed Apr 02 20:31:20 GMT 2025
PRIMARY
FDA UNII
Q4Y747N3DD
Created by admin on Wed Apr 02 20:31:20 GMT 2025 , Edited by admin on Wed Apr 02 20:31:20 GMT 2025
PRIMARY
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