Basic information
- CAS
20674-95-7- Standard SMILES
CCCCN1CCc2c(c3cc(C)ccc3n2CCc2ccc(C)nc2)C1- InChIKey
YWXATECJURLASS-UHFFFAOYSA-N- Molecular formula
- C24H31N3
- Average molar mass
- 361.5 g/mol
- Monoisotopic mass
- 361.251798
Names & identifiers
- Preferred name
- 1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-butyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-
- IUPAC
- 2-butyl-8-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
- English name
- 2,3,4,5-Tetrahydro-2-butyl-8-methyl-5-[2-(6-methyl-3-pyridyl)ethyl]-1H-pyrido[4,3-b]indole
- Molecular formula
- C24H31N3
- Molecular weight
- 361.52
Names & synonyms
20674-95-7BRN 06288251H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-butyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-DTXSID301747235-23-07-00382 (Beilstein Handbook Reference)2,3,4,5-Tetrahydro-2-butyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1H-pyrido(4,3-b)indole2,3,4,5-Tetrahydro-2-butyl-8-methyl-5-[2-(6-methyl-3-pyridyl)ethyl]-1H-pyrido[4,3-b]indoleRefChem:240262DTXCID30972142-butyl-8-methyl-5-[2-(6-methylpyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole2-butyl-8-methyl-5-(2-(6-methylpyridin-3-yl)ethyl)-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indoleSCHEMBL4138127
Show more names
1H-Pyrido[4,3-b]indole, 2-butyl-2,3,4,5-tetrahydro-8-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-2-butyl-8-methyl-5-[2-(6-methyl-pyridin-3-yl)-ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
YWXATECJURLASS-UHFFFAOYSA-NDB-364316
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 21.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 467
Physicochemical properties
- Boiling point
- 536.8 · 536.8±50.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 9.13 · 9.13±0.20(Predicted)
Chemistry & industry
Suppliers1 total
湖北扬信医药科技有限公司15347293736 · [email protected]
Related reactions
6 records
Compound notes
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