1-((3-(Diethylamino)propyl)amino)-4,5-dimethyl-5H-pyrido(4,3-b)indol-8-ol

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Basic information

CAS: 111380-63-3
Standard SMILES: CCN(CC)CCCNc1ncc(C)c2c1c1cc(O)ccc1n2C
InChIKey: NFAVXWHNAASLHL-UHFFFAOYSA-N
Molecular formula: C20H28N4O
Average molar mass: 340.5 g/mol
Monoisotopic mass: 340.22631153

Names & identifiers

Preferred name: 1-((3-(Diethylamino)propyl)amino)-4,5-dimethyl-5H-pyrido(4,3-b)indol-8-ol
IUPAC: 1-[3-(diethylamino)propylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol

Names & synonyms

1-((3-(Diethylamino)propyl)amino)-4,5-dimethyl-5H-pyrido(4,3-b)indol-8-ol111380-63-31-{[3-(diethylamino)propyl]amino}-4,5-dimethyl-5H-pyrido[4,3-b]indol-8-olCHEMBL130407SCHEMBL10375473DTXSID50149630

Database identifiers

CAS: 111380-63-3
PubChem CID: 183284
DTXSID: DTXSID50149630
ChEMBL: CHEMBL130407

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 53.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 25
Formal charge: 0
Complexity: 417

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