2'-amino-4'-(furan-2-yl)-7',8'-dihydro-5'H-spiro[piperidine-4,6'-quinoline]-3'-carbonitrile

• ChemBase ID: 699226
• Molecular Formular: C18H20N4O
• Molecular Mass: 308.3776
• Monoisotopic Mass: 308.16371128
• SMILES: c1(c(c2c(nc1N)CCC1(C2)CCNCC1)c1occc1)C#N
• Canonical SMILES: N#Cc1c(N)nc2c(c1c1ccco1)CC1(CC2)CCNCC1
• InChI: InChI=1S/C18H20N4O/c19-11-13-16(15-2-1-9-23-15)12-10-18(5-7-21-8-6-18)4-3-14(12)22-17(13)20/h1-2,9,21H,3-8,10H2,(H2,20,22)
• InChIKey: AFNKNXHGKZGCIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2'-amino-4'-(furan-2-yl)-7',8'-dihydro-5'H-spiro[piperidine-4,6'-quinoline]-3'-carbonitrile
• IUPAC Traditional name: 2'-amino-4'-(furan-2-yl)-7',8'-dihydro-5'H-spiro[piperidine-4,6'-quinoline]-3'-carbonitrile
• Synonyms: 2'-amino-4'-(2-furyl)-7',8'-dihydro-5'H-spiro[piperidine-4,6'-quinoline]-3'-carbonitrile

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.374842
• LogD (pH = 7.4): -0.8992494
• Log P: 1.8579654
• Molar Refractivity: 89.476 cm^3
• Polarizability: 34.877106 Å^3
• Polar Surface Area: 87.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 4.19
• LOG S: -4.28
• Polar Surface Area: 87.87 Å^2
• Rotatable Bonds: 1