Basic information
- CAS
63277-58-7- Standard SMILES
CCOC(=O)N1CCc2[nH]c3ccc(C)cc3c2C1- InChIKey
HSVKCHIAGOIUCK-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.13682782
Names & identifiers
- Preferred name
- ethyl 8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate
- IUPAC
- ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
- English name
- Ethyl 8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate
- Molecular formula
- C15H18N2O2
- Molecular weight
- 258.31562
Names & synonyms
ethyl 8-methyl-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indole-2-carboxylate63277-58-7ethyl 8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylateMLS000674952SMR000291993ST077036Opera_ID_1997Oprea1_239541Oprea1_670424SCHEMBL407460CHEMBL1586606DTXSID601331634
Show more names
HMS2715A23STK403459AKOS003293537CS-0326772UNM000011057201SR-01000506045SR-01000506045-1ethyl 8-methyl-1,2,3,4-tetrahydropyridino[4,3-b]indole-2-carboxylate
Database identifiers
- CAS
63277-58-7- PubChem CID
- 2937007
- DTXSID
DTXSID601331634- ChEMBL
CHEMBL1586606
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 45.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
Solubility15.9 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers3 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
26 records
Compound notes
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