3-Amino-6-chloro-4-(2-chlorophenyl)-3,4-hydroxy-2-methylquinazoline - CAS 54567-12-3
Catalog: |
BB075287 |
Product Name: |
3-Amino-6-chloro-4-(2-chlorophenyl)-3,4-hydroxy-2-methylquinazoline |
CAS: |
54567-12-3 |
Synonyms: |
3-amino-6-chloro-4-(2-chlorophenyl)-2-methyl-3,4-dihydro-4-quinazolinol; 3-Amino-6-chloro-4-(2-chlorophenyl)-3,4-dihydro-2-methyl-4-quinazolinol |
IUPAC Name: | 3-amino-6-chloro-4-(2-chlorophenyl)-2-methylquinazolin-4-ol |
Molecular Weight: | 322.19 |
Molecular Formula: | C15H13Cl2N3O |
Canonical SMILES: | CC1=NC2=C(C=C(C=C2)Cl)C(N1N)(C3=CC=CC=C3Cl)O |
InChI: | InChI=1S/C15H13Cl2N3O/c1-9-19-14-7-6-10(16)8-12(14)15(21,20(9)18)11-4-2-3-5-13(11)17/h2-8,21H,18H2,1H3 |
InChI Key: | BLYWAXNJULTJLN-UHFFFAOYSA-N |
Complexity: | 433 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 321.0435674 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.0435674 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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