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847949-49-9 | 7-Quinazolinol,4-[(3-chloro-4-fluorophenyl)amino]-6-[3-(4-morpholinyl)propoxy]-
CAS No: 847949-49-9 Catalog No: AG004OK1 MDL No:
Product Description
Catalog Number:
AG004OK1
Chemical Name:
7-Quinazolinol,4-[(3-chloro-4-fluorophenyl)amino]-6-[3-(4-morpholinyl)propoxy]-
CAS Number:
847949-49-9
Molecular Formula:
C21H22ClFN4O3
Molecular Weight:
432.8758
IUPAC Name:
4-(3-chloro-4-fluoroanilino)-6-(3-morpholin-4-ylpropoxy)quinazolin-7-ol
InChI:
InChI=1S/C21H22ClFN4O3/c22-16-10-14(2-3-17(16)23)26-21-15-11-20(19(28)12-18(15)24-13-25-21)30-7-1-4-27-5-8-29-9-6-27/h2-3,10-13,28H,1,4-9H2,(H,24,25,26)
InChI Key:
IFMMYZUUCFPEHR-UHFFFAOYSA-N
SMILES:
Oc1cc2ncnc(c2cc1OCCCN1CCOCC1)Nc1ccc(c(c1)Cl)F
UNII:
53LPA3P6SI
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.136g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.88g/mol
Monoisotopic Mass:
432.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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