1,3-Dihydro-1,3,3-trimethyl-6′-(1-piperidinyl)spiro[2H-indole-2,3′-[3H]naphth[2,1-B][1,4]oxazine]

C₂₇H₂₉N₃OCAS 114747-45-4411.55 g/mol

Open in Covalent MOL file

Ether Imine Tertiary amine

Properties

Molecular formula: C₂₇H₂₉N₃O
Molar mass: 411.55 g/mol
Exact mass: 411.2311 Da
Melting point: 228–230 °C
logP: 6.05Crippen estimate
Polar surface area: 28.1 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

Identifiers

CAS number

114747-45-4

SMILES

CN1c2ccccc2C(C)(C)C12C=Nc1c(cc(N3CCCCC3)c3ccccc13)O2

InChIKey

YAWJWXXKKHOMQT-UHFFFAOYSA-N

InChI

InChI=1S/C27H29N3O/c1-26(2)21-13-7-8-14-22(21)29(3)27(26)18-28-25-20-12-6-5-11-19(20)23(17-24(25)31-27)30-15-9-4-10-16-30/h5-8,11-14,17-18H,4,9-10,15-16H2,1-3H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

Spiro[2H-indole-2,3′-[3H]naphth[2,1-b][1,4]oxazine], 1,3-dihydro-1,3,3-trimethyl-6′-(1-piperidinyl)-
Technocolor purple 3
1,3,3-Trimethylindolino-6′-(1-piperidinyl)spironaphthoxazine
1,3,3-Trimethylindolino-6′-(1-piperidinyl)spironaphthooxazine
1,3,3-Trimethyl-6′-(1-piperidinyl)spiroindolinenaphthooxazine
1,3-Dihydro-1,3,3-trimethyl-6′-(1-piperidinyl)spiro[2H-indol-2,3′-(3H)-naphtho(2,1-b)(1,4)-oxazine]

Work with 1,3-Dihydro-1,3,3-trimethyl-6′-(1-piperidinyl)spiro[2H-indole-2,3′-[3H]naphth[2,1-B][1,4]oxazine]

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dihydro-1,3,3-trimethylspiro[2H-indole-2,3′-[3H]naphth[2,1-B][1,4]oxazine]27333-47-764 % similar 1′,3′-Dihydro-1′,3′,3′-trimethyl-6-nitrospiro[2H-1-benzopyran-2,2′-[2H]indole]1498-88-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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