5,6-Diamino-8-[bis(2-hydroxyethyl)amino]-3-(2-furanylmethyl)-2,3-dihydro-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
Basic information
- CAS
852840-62-1- Standard SMILES
N#Cc1c(N(CCO)CCO)nc(N)c2c(N)nc3c(c12)CC(=O)N3Cc1ccco1- InChIKey
CNTOHFKDCDVEQJ-UHFFFAOYSA-N- Molecular formula
- C20H21N7O4
- Average molar mass
- 423.4 g/mol
- Monoisotopic mass
- 423.16550218
Names & identifiers
- Preferred name
- 5,6-Diamino-8-[bis(2-hydroxyethyl)amino]-3-(2-furanylmethyl)-2,3-dihydro-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
- IUPAC
- 5,6-diamino-8-[bis(2-hydroxyethyl)amino]-3-(furan-2-ylmethyl)-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile
Names & synonyms
DTXSID201102803AKOS0080238765,6-Diamino-8-[bis(2-hydroxyethyl)amino]-3-(2-furanylmethyl)-2,3-dihydro-2-oxo-1H-pyrrolo[2,3-c][2,7]naphthyridine-9-carbonitrile852840-62-1SR-01000067853SR-01000067853-1Z55436265
Database identifiers
- CAS
852840-62-1- PubChem CID
- 4844167
- DTXSID
DTXSID201102803
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 696
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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