Home Aminos 3-[(quinazolin-4-yl)amino]benzoic acid

3-[(quinazolin-4-yl)amino]benzoic acid

CAS No.:
33683-29-3
Catalog Number:
AG01ELN5
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
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Product Description
Catalog Number:
AG01ELN5
Chemical Name:
3-[(quinazolin-4-yl)amino]benzoic acid
CAS Number:
33683-29-3
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
MDL Number:
MFCD02322971
IUPAC Name:
3-(quinazolin-4-ylamino)benzoic acid
InChI:
InChI=1S/C15H11N3O2/c19-15(20)10-4-3-5-11(8-10)18-14-12-6-1-2-7-13(12)16-9-17-14/h1-9H,(H,19,20)(H,16,17,18)
InChI Key:
IASGTMKCYAFHIU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)Nc1ncnc2c1cccc2
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.085g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
265.272g/mol
Monoisotopic Mass:
265.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties