Basic information
- CAS
175026-97-8- Standard SMILES
N#Cc1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2- InChIKey
MYMLJUOAANBFOS-UHFFFAOYSA-N- Molecular formula
- C17H8N2O2
- Average molar mass
- 272.26 g/mol
- Monoisotopic mass
- 272.0585775
Names & identifiers
- Preferred name
- 2,7-Dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carbonitrile
- IUPAC
- 8,15-dioxo-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-16-carbonitrile
Names & synonyms
2,7-Dioxo-2,7-dihydro-3H-naphtho[1,2,3-de]quinoline-1-carbonitrileOprea1_152878Oprea1_356485SCHEMBL4277182DTXSID601164938STK761269AKOS000598093NCGC00165589-01175026-97-8ST4049990ST502479602,7-Dihydro-2,7-dioxo-3H-naphtho[1,2,3-de]quinoline-1-carbonitrile
Show more names
8,15-dioxo-14-azatetracyclo[7.7.1.0(2),.0(1)(3),(1)]heptadeca-1(16),2(7),3,5,9(17),10,12-heptaene-16-carbonitrile
Database identifiers
- CAS
175026-97-8- PubChem CID
- 701062
- DTXSID
DTXSID601164938
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 597
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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