(3S)-1',3',3'-trimethyl-1',3'-dihydrospiro[[1,4]oxazino[3,2-f]quinoline-3,2'-indole]

• ChemBase ID: 185943
• Molecular Formular: C21H19N3O
• Molecular Mass: 329.39506
• Monoisotopic Mass: 329.15281224
• SMILES: [C@]12(N(c3c(C1(C)C)cccc3)C)Oc1c(N=C2)c2c(nccc2)cc1
• Canonical SMILES: CN1c2ccccc2C([C@@]21C=Nc1c(O2)ccc2c1cccn2)(C)C
• InChI: InChI=1S/C21H19N3O/c1-20(2)15-8-4-5-9-17(15)24(3)21(20)13-23-19-14-7-6-12-22-16(14)10-11-18(19)25-21/h4-13H,1-3H3/t21-/m1/s1
• InChIKey: YVUNNZGWXFMUMF-OAQYLSRUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-1',3',3'-trimethyl-1',3'-dihydrospiro[[1,4]oxazino[3,2-f]quinoline-3,2'-indole]
• IUPAC Traditional name: (3S)-1',3',3'-trimethylspiro[[1,4]oxazino[3,2-f]quinoline-3,2'-indole]

Database IDs

• PubChem SID: 164241853
• PubChem CID: 762620

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 5.0370636
• LogD (pH = 7.4): 5.038284
• Log P: 5.0382996
• Molar Refractivity: 99.9816 cm^3
• Polarizability: 38.613964 Å^3
• Polar Surface Area: 37.72 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds