Basic information
- CAS
82983-07-1- Standard SMILES
CCn1c2ccc(N)cc2c2c3[nH]c(=O)c4cccn4c3ccc21- InChIKey
QVGGGZDSEBSEHH-UHFFFAOYSA-N- Molecular formula
- C19H16N4O
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.13241115
Names & identifiers
- Preferred name
- Qvgggzdsebsehh-uhfffaoysa-
- IUPAC
- 5-amino-9-ethyl-9,14,20-triazapentacyclo[11.7.0.02,10.03,8.014,18]icosa-1(13),2(10),3(8),4,6,11,15,17-octaen-19-one
Names & synonyms
NSC34056182983-07-1QVGGGZDSEBSEHH-UHFFFAOYSA-DTXSID00319164NSC-34056110-Amino-7-ethyl-7,12-dihydro-13H-pyrrolo[1',2':1,6]pyrazino[2,3-c]carbazol-13-oneInChI=1/C19H16N4O/c1-2-22-13-6-5-11(20)10-12(13)17-14(22)7-8-15-18(17)21-19(24)16-4-3-9-23(15)16/h3-10H,2,20H2,1H3,(H,21,24)
Database identifiers
- CAS
82983-07-1- PubChem CID
- 334693
- DTXSID
DTXSID00319164
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 525
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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