6'-amino-1,1',5-trimethyl-2',4'-dihydro-1'H-spiro[1,5-diazinane-3,3'-quinoline]-2,4,6-trione

• ChemBase ID: 218369
• Molecular Formular: C15H18N4O3
• Molecular Mass: 302.32842
• Monoisotopic Mass: 302.13789046
• SMILES: C12(C(=O)N(C(=O)N(C1=O)C)C)CN(c1c(C2)cc(cc1)N)C
• Canonical SMILES: CN1CC2(Cc3c1ccc(c3)N)C(=O)N(C)C(=O)N(C2=O)C
• InChI: InChI=1S/C15H18N4O3/c1-17-8-15(7-9-6-10(16)4-5-11(9)17)12(20)18(2)14(22)19(3)13(15)21/h4-6H,7-8,16H2,1-3H3
• InChIKey: SGINMHZMCCVAGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6'-amino-1,1',5-trimethyl-2',4'-dihydro-1'H-spiro[1,5-diazinane-3,3'-quinoline]-2,4,6-trione
• IUPAC Traditional name: 6'-amino-1,1',5-trimethyl-2',4'-dihydrospiro[1,5-diazinane-3,3'-quinoline]-2,4,6-trione

Database IDs

• PubChem SID: 164274279
• PubChem CID: 16408337

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.03218479
• LogD (pH = 7.4): 0.36227515
• Log P: 0.37060606
• Molar Refractivity: 82.1821 cm^3
• Polarizability: 30.271904 Å^3
• Polar Surface Area: 86.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds