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89218-45-1 | 4-Quinazolinamine, 6-chloro-2-(4-morpholinyl)-N-(2-nitrophenyl)-
CAS No: 89218-45-1 Catalog No: AG0043MO MDL No:
Product Description
Catalog Number:
AG0043MO
Chemical Name:
4-Quinazolinamine, 6-chloro-2-(4-morpholinyl)-N-(2-nitrophenyl)-
CAS Number:
89218-45-1
Molecular Formula:
C18H16ClN5O3
Molecular Weight:
385.8043
IUPAC Name:
6-chloro-2-morpholin-4-yl-N-(2-nitrophenyl)quinazolin-4-amine
InChI:
InChI=1S/C18H16ClN5O3/c19-12-5-6-14-13(11-12)17(20-15-3-1-2-4-16(15)24(25)26)22-18(21-14)23-7-9-27-10-8-23/h1-6,11H,7-10H2,(H,20,21,22)
InChI Key:
QGLSNCAFGKAFRN-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(nc(n2)N1CCOCC1)Nc1ccccc1[N+](=O)[O-]
Properties
Complexity:
516
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.094g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
385.808g/mol
Monoisotopic Mass:
385.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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