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Basic information
- Standard SMILES
Cl.N#Cc1cc(CNC2CCN(CC3Cn4c(=O)ccc5ccc(=O)n3c54)CC2)cc2c1OCCO2- InChIKey
VSBDRARNVKNKDD-UHFFFAOYSA-N- Molecular formula
- C26H28ClN5O4
- Average molar mass
- 510 g/mol
- Monoisotopic mass
- 509.1829821
Names & identifiers
- Preferred name
- 7-[({1-[(4,9-Dioxo-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridin-1-yl)methyl]-4-piperidinyl}amino)methyl]-2,3-dihydro-1,4-benzodioxin-5-carbonitrile hydrochloride
- IUPAC
- 7-[[[1-[(5,11-dioxo-1,4-diazatricyclo[6.3.1.04,12]dodeca-6,8(12),9-trien-2-yl)methyl]piperidin-4-yl]amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carbonitrile;hydrochloride
Names & synonyms
SCHEMBL3324775VSBDRARNVKNKDD-UHFFFAOYSA-N7-[({1-[(4,9-Dioxo-1,2-dihydro-4H,9H-imidazo[1,2,3-ij]-1,8-naphthyridin-1-yl)methyl]-4-piperidinyl}amino)methyl]-2,3-dihydro-1,4-benzodioxin-5-carbonitrile hydrochloride
Database identifiers
- PubChem CID
- 68596293
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 98.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,020
Related reactions
1 records
Compound notes
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