N-[(8R)-5,6,7,8-Tetrahydro-4-(1,2,3,4-tetrahydro-1-methyl-2-oxo-6-quinolinyl)...
C22H25N3O2
1428652-17-8 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  27 30 0 0 1
M  V30 BEGIN ATOM
M  V30 1 N 13.3370 4.6201 0.0 0
M  V30 2 C 14.6707 3.8500 0.0 0
M  V30 3 C 16.0043 4.6201 0.0 0
M  V30 4 O 14.6707 2.3100 0.0 0
M  V30 5 C 17.3381 3.8500 0.0 0
M  V30 6 C 2.6675 0.0000 0.0 0
M  V30 7 O 0.0000 1.5400 0.0 0
M  V30 8 C 8.0022 4.6201 0.0 0
M  V30 9 C 9.3359 3.8500 0.0 0
M  V30 10 C 8.0022 6.1601 0.0 0
M  V30 11 C 10.6695 4.6201 0.0 0
M  V30 12 C 9.3359 2.3100 0.0 0
M  V30 13 N 9.3359 6.9301 0.0 0
M  V30 14 C 12.0034 3.8500 0.0 0 CFG=2
M  V30 15 C 10.6695 6.1601 0.0 0
M  V30 16 C 10.6695 1.5400 0.0 0
M  V30 17 C 12.0034 2.3100 0.0 0
M  V30 18 C 6.6686 3.8500 0.0 0
M  V30 19 C 5.3348 4.6201 0.0 0
M  V30 20 C 6.6686 2.3100 0.0 0
M  V30 21 C 4.0011 3.8500 0.0 0
M  V30 22 C 5.3348 1.5400 0.0 0
M  V30 23 C 4.0011 2.3100 0.0 0
M  V30 24 C 2.6675 4.6201 0.0 0
M  V30 25 N 2.6675 1.5400 0.0 0
M  V30 26 C 1.3338 3.8500 0.0 0
M  V30 27 C 1.3338 2.3100 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 14 1 CFG=3
M  V30 3 1 2 3
M  V30 4 2 2 4
M  V30 5 1 3 5
M  V30 6 1 6 25
M  V30 7 2 7 27
M  V30 8 2 8 9
M  V30 9 1 8 10
M  V30 10 1 8 18
M  V30 11 1 9 11
M  V30 12 1 9 12
M  V30 13 2 10 13
M  V30 14 1 11 14
M  V30 15 2 11 15
M  V30 16 1 12 16
M  V30 17 1 13 15
M  V30 18 1 14 17
M  V30 19 1 16 17
M  V30 20 1 18 19
M  V30 21 2 18 20
M  V30 22 2 19 21
M  V30 23 1 20 22
M  V30 24 1 21 23
M  V30 25 1 21 24
M  V30 26 2 22 23
M  V30 27 1 23 25
M  V30 28 1 24 26
M  V30 29 1 25 27
M  V30 30 1 26 27
M  V30 END BOND
M  V30 BEGIN COLLECTION
M  V30 MDLV30/STEABS ATOMS=(1 14)
M  V30 END COLLECTION
M  V30 END CTAB
M  END
> <cas.rn>
1428652-17-8

> <cas.index.name>
Propanamide, N-[(8R)-5,6,7,8-tetrahydro-4-(1,2,3,4-tetrahydro-1-methyl-2-oxo-6-quinolinyl)-8-isoquinolinyl]-

> <molecular.formula>
C22H25N3O2

> <molecular.weight>
363.45

> <boiling.point.predicted>
697.6±55.0 °C    Press: 760 Torr

> <density.predicted>
1.24±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
15.05±0.20    Most Acidic Temp: 25 °C

$$$$
