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123178-85-8 | Benzo[f]quinazoline-1,3-diamine, 9-chloro-5,6-dihydro-
CAS No: 123178-85-8 Catalog No: AG000K4S MDL No:
Product Description
Catalog Number:
AG000K4S
Chemical Name:
Benzo[f]quinazoline-1,3-diamine, 9-chloro-5,6-dihydro-
CAS Number:
123178-85-8
Molecular Formula:
C12H11ClN4
Molecular Weight:
246.6955
IUPAC Name:
9-chloro-5,6-dihydrobenzo[f]quinazoline-1,3-diamine
InChI:
InChI=1S/C12H11ClN4/c13-7-3-1-6-2-4-9-10(8(6)5-7)11(14)17-12(15)16-9/h1,3,5H,2,4H2,(H4,14,15,16,17)
InChI Key:
QABNOYDEMOSYNL-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c1c(N)nc(nc1CC2)N
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.698g/mol
Monoisotopic Mass:
246.067g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Dicyclic and tricyclic diaminopyrimidine derivatives as potent inhibitors of Cryptosporidium parvum dihydrofolate reductase: structure-activity and structure-selectivity correlations. | Antimicrobial agents and chemotherapy 20011201 |
| Inhibition of dihydrofolate reductases from Toxoplasma gondii, Pneumocystis carinii, and rat liver by rotationally restricted analogues of pyrimethamine and metoprine. | Drug design and discovery 19990701 |
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