Basic information
- CAS
5270-09-7- Standard SMILES
COc1ccc(-n2c(N)c(C(=O)NC(C)CCc3ccccc3)c3nc4ccccc4nc32)cc1OC- InChIKey
MRZVAPURLPJEET-UHFFFAOYSA-N- Molecular formula
- C29H29N5O3
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.2270398
Names & identifiers
- Preferred name
- 2-amino-1-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide
- IUPAC
- 2-amino-1-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)pyrrolo[3,2-b]quinoxaline-3-carboxamide
Names & synonyms
2-amino-1-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxamide5270-09-7AC1NPBARDTXSID70409526STK990316AKOS005644746
Database identifiers
- CAS
5270-09-7- PubChem CID
- 5201225
- DTXSID
DTXSID70409526
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 749
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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