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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H9ClN2O
Molecular Weight 208.644
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(Chloromethyl)-4-methylquinazoline 3-oxide

SMILES

CC1=[N+]([O-])C(CCl)=NC2=C1C=CC=C2

InChI

InChIKey=BUHMBFBOQCPBRM-UHFFFAOYSA-N
InChI=1S/C10H9ClN2O/c1-7-8-4-2-3-5-9(8)12-10(6-11)13(7)14/h2-5H,6H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H9ClN2O
Molecular Weight 208.644
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 Tue Apr 01 20:11:36 GMT 2025
Edited
by admin
on Tue Apr 01 20:11:36 GMT 2025
Record UNII
A3PZU5E84Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(Chloromethyl)-4-methylquinazoline 3-oxide
Systematic Name English
NSC-48970
Preferred Name English
2-(Chloromethyl)-4-methyl-3-oxidoquinazolin-3-ium
Systematic Name English
Quinazoline, 2-(chloromethyl)-4-methyl-, 3-oxide
Systematic Name English
2-(Chloromethyl)-4-methylquinazolin-3-ium-3-olate
Systematic Name English
2-(Chloromethyl)-4-methyl-2,3-dihydroquinazoline 3-oxide
Systematic Name English
Code System Code Type Description
FDA UNII
A3PZU5E84Q
Created by admin on Tue Apr 01 20:11:36 GMT 2025 , Edited by admin on Tue Apr 01 20:11:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID00216624
Created by admin on Tue Apr 01 20:11:36 GMT 2025 , Edited by admin on Tue Apr 01 20:11:36 GMT 2025
PRIMARY
PUBCHEM
493974
Created by admin on Tue Apr 01 20:11:36 GMT 2025 , Edited by admin on Tue Apr 01 20:11:36 GMT 2025
PRIMARY
NSC
48970
Created by admin on Tue Apr 01 20:11:36 GMT 2025 , Edited by admin on Tue Apr 01 20:11:36 GMT 2025
PRIMARY
CAS
6640-59-1
Created by admin on Tue Apr 01 20:11:36 GMT 2025 , Edited by admin on Tue Apr 01 20:11:36 GMT 2025
PRIMARY