Home Carboxys 4-morpholinoquinazoline-7-carboxylic acid

4-morpholinoquinazoline-7-carboxylic acid

CAS No.:
941237-08-7
Catalog Number:
AG01EKI5
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
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Product Description
Catalog Number:
AG01EKI5
Chemical Name:
4-morpholinoquinazoline-7-carboxylic acid
CAS Number:
941237-08-7
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
MDL Number:
MFCD11057768
IUPAC Name:
4-morpholin-4-ylquinazoline-7-carboxylic acid
InChI:
InChI=1S/C13H13N3O3/c17-13(18)9-1-2-10-11(7-9)14-8-15-12(10)16-3-5-19-6-4-16/h1-2,7-8H,3-6H2,(H,17,18)
InChI Key:
XQJHISFKIXDERQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ncnc2N1CCOCC1
Properties
Complexity:
333  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties