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827030-86-4 | 4-Quinazolinamine, 2-chloro-N-(4-methoxyphenyl)-N,7-dimethyl-
CAS No: 827030-86-4 Catalog No: AG004WDL MDL No:
Product Description
Catalog Number:
AG004WDL
Chemical Name:
4-Quinazolinamine, 2-chloro-N-(4-methoxyphenyl)-N,7-dimethyl-
CAS Number:
827030-86-4
Molecular Formula:
C17H16ClN3O
Molecular Weight:
313.7814
IUPAC Name:
2-chloro-N-(4-methoxyphenyl)-N,7-dimethylquinazolin-4-amine
InChI:
InChI=1S/C17H16ClN3O/c1-11-4-9-14-15(10-11)19-17(18)20-16(14)21(2)12-5-7-13(22-3)8-6-12/h4-10H,1-3H3
InChI Key:
WYEXKHFIYNXOOH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)N(c1nc(Cl)nc2c1ccc(c2)C)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.098g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.785g/mol
Monoisotopic Mass:
313.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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