U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C16H21N3O4
Molecular Weight 319.3556
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-methoxy-6-[3-(4-morpholinyl)propoxy]-4(3H)-quinazolinone

SMILES

COC1=CC2=C(C=C1OCCCN3CCOCC3)C(=O)N=CN2

InChI

InChIKey=WFUBWLXSYCFZEH-UHFFFAOYSA-N
InChI=1S/C16H21N3O4/c1-21-14-10-13-12(16(20)18-11-17-13)9-15(14)23-6-2-3-19-4-7-22-8-5-19/h9-11H,2-8H2,1H3,(H,17,18,20)

HIDE SMILES / InChI

Molecular Formula C16H21N3O4
Molecular Weight 319.3556
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jul 07 00:27:47 UTC 2023
Edited
by admin
on Fri Jul 07 00:27:47 UTC 2023
Record UNII
R9YH59H93M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-methoxy-6-[3-(4-morpholinyl)propoxy]-4(3H)-quinazolinone
Systematic Name English
4(3H)-Quinazolinone, 7-methoxy-6-[3-(4-morpholinyl)propoxy]-
Common Name English
7-Methoxy-6-(3-morpholinopropoxy)quinazolin-4(3H)-one
Systematic Name English
Gefitinib related compound A [USP]
Common Name English
Code System Code Type Description
FDA UNII
R9YH59H93M
Created by admin on Fri Jul 07 00:27:47 UTC 2023 , Edited by admin on Fri Jul 07 00:27:47 UTC 2023
PRIMARY
PUBCHEM
135399673
Created by admin on Fri Jul 07 00:27:47 UTC 2023 , Edited by admin on Fri Jul 07 00:27:47 UTC 2023
PRIMARY
CAS
199327-61-2
Created by admin on Fri Jul 07 00:27:47 UTC 2023 , Edited by admin on Fri Jul 07 00:27:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID90439401
Created by admin on Fri Jul 07 00:27:47 UTC 2023 , Edited by admin on Fri Jul 07 00:27:47 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY