69667344
  -OEChem-04262423102D

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   10.7147    2.7550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
69667344

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
505

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sQAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAACx9AAAHwAQAAAADAzhng4z1vfIFACgAyRiZACCiCkhIqAJmCA+7JiPLqLE+duHPCru0Bva6Cew0BMOIEABAgACQABAgAIEAASAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-fluoro-7-methoxy-6-(3-morpholinopropoxy)-N-phenyl-quinazolin-2-amine

> <PUBCHEM_IUPAC_CAS_NAME>
4-fluoro-7-methoxy-6-[3-(4-morpholinyl)propoxy]-N-phenyl-2-quinazolinamine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-fluoro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-<I>N</I>-phenylquinazolin-2-amine

> <PUBCHEM_IUPAC_NAME>
4-fluoro-7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenylquinazolin-2-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-fluoranyl-7-methoxy-6-(3-morpholin-4-ylpropoxy)-N-phenyl-quinazolin-2-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
[4-fluoro-7-methoxy-6-(3-morpholinopropoxy)quinazolin-2-yl]-phenyl-amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H25FN4O3/c1-28-19-15-18-17(14-20(19)30-11-5-8-27-9-12-29-13-10-27)21(23)26-22(25-18)24-16-6-3-2-4-7-16/h2-4,6-7,14-15H,5,8-13H2,1H3,(H,24,25,26)

> <PUBCHEM_IUPAC_INCHIKEY>
OYRHLPGMZZDDMJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
412.19106883

> <PUBCHEM_MOLECULAR_FORMULA>
C22H25FN4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
412.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C2C(=C1)N=C(N=C2F)NC3=CC=CC=C3)OCCCN4CCOCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C2C(=C1)N=C(N=C2F)NC3=CC=CC=C3)OCCCN4CCOCC4

> <PUBCHEM_CACTVS_TPSA>
68.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
412.19106883

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  17  8
16  18  8
17  21  8
18  19  8
19  20  8
19  22  8
20  21  8
24  26  8
24  27  8
26  28  8
27  29  8
28  30  8
29  30  8
6  20  8
6  23  8
7  22  8
7  23  8

$$$$