7-[(4-Chlorophenyl)[(3-hydroxy-2-pyridinyl)amino]methyl]-8-quinolinol
C21H16ClN3O2
385786-48-1 Copyright (C) 2023 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 30 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.3900 5.3347 0.0 0
M  V30 2 N 4.6200 6.6684 0.0 0
M  V30 3 O 6.9300 8.0021 0.0 0
M  V30 4 O 3.0800 9.3358 0.0 0
M  V30 5 Cl 2.3100 0.0000 0.0 0
M  V30 6 C 6.9300 5.3347 0.0 0
M  V30 7 C 7.7000 6.6684 0.0 0
M  V30 8 C 7.7000 4.0011 0.0 0
M  V30 9 C 9.2400 6.6684 0.0 0
M  V30 10 C 9.2400 4.0011 0.0 0
M  V30 11 C 10.0100 5.3347 0.0 0
M  V30 12 N 10.0100 8.0021 0.0 0
M  V30 13 C 11.5500 5.3347 0.0 0
M  V30 14 C 11.5500 8.0021 0.0 0
M  V30 15 C 12.3200 6.6684 0.0 0
M  V30 16 C 4.6200 4.0011 0.0 0
M  V30 17 C 3.0800 4.0011 0.0 0
M  V30 18 C 5.3900 2.6674 0.0 0
M  V30 19 C 2.3100 2.6674 0.0 0
M  V30 20 C 4.6200 1.3336 0.0 0
M  V30 21 C 3.0800 1.3336 0.0 0
M  V30 22 C 3.0800 6.6684 0.0 0
M  V30 23 C 2.3100 8.0021 0.0 0
M  V30 24 N 2.3100 5.3347 0.0 0
M  V30 25 C 0.7700 8.0021 0.0 0
M  V30 26 C 0.7700 5.3347 0.0 0
M  V30 27 C 0.0000 6.6684 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 6
M  V30 3 1 1 16
M  V30 4 1 2 22
M  V30 5 1 3 7
M  V30 6 1 4 23
M  V30 7 1 5 21
M  V30 8 2 6 7
M  V30 9 1 6 8
M  V30 10 1 7 9
M  V30 11 2 8 10
M  V30 12 2 9 11
M  V30 13 1 9 12
M  V30 14 1 10 11
M  V30 15 1 11 13
M  V30 16 2 12 14
M  V30 17 2 13 15
M  V30 18 1 14 15
M  V30 19 2 16 17
M  V30 20 1 16 18
M  V30 21 1 17 19
M  V30 22 2 18 20
M  V30 23 2 19 21
M  V30 24 1 20 21
M  V30 25 2 22 23
M  V30 26 1 22 24
M  V30 27 1 23 25
M  V30 28 2 24 26
M  V30 29 2 25 27
M  V30 30 1 26 27
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
385786-48-1

> <cas.index.name>
8-Quinolinol, 7-[(4-chlorophenyl)[(3-hydroxy-2-pyridinyl)amino]methyl]-

> <molecular.formula>
C21H16ClN3O2

> <molecular.weight>
377.82

> <melting.point.experimental>
189 °C

> <boiling.point.predicted>
650.9±55.0 °C    Press: 760 Torr

> <density.predicted>
1.437±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
4.07±0.50    Most Acidic Temp: 25 °C

$$$$
