(cis-2,3,4a,5,6,10b-Hexahydro-1H-benzo[f]quinolin-4-yl)-(1H-imidazo[4,5-b]pyridin-5-yl)-methanone

HCID 86654097

Notes Reactions

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Basic information

Standard SMILES: O=C(c1ccc2[nH]cnc2n1)N1CCC[C@@H]2c3ccccc3CC[C@@H]21
InChIKey: LUDUZQDSHSAORI-QAPCUYQASA-N
Molecular formula: C20H20N4O
Average molar mass: 332.4 g/mol
Monoisotopic mass: 332.16371127

Names & identifiers

Preferred name: (cis-2,3,4a,5,6,10b-Hexahydro-1H-benzo[f]quinolin-4-yl)-(1H-imidazo[4,5-b]pyridin-5-yl)-methanone
IUPAC: [(4aS,10bR)-2,3,4a,5,6,10b-hexahydro-1H-benzo[f]quinolin-4-yl]-(1H-imidazo[4,5-b]pyridin-5-yl)methanone

Names & synonyms

SCHEMBL15139443SCHEMBL15139484LUDUZQDSHSAORI-QAPCUYQASA-N(cis-2,3,4a,5,6,10b-Hexahydro-1H-benzo[f]quinolin-4-yl)-(1H-imidazo[4,5-b]pyridin-5-yl)-methanone

Database identifiers

PubChem CID: 86654097

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 61.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 25
Formal charge: 0
Complexity: 512

Related reactions

4 records

New reaction record

HRID 455395As productuspto-grants-2013_07

HRID 521054As productuspto-grants-2016_05

HRID 2272048As productuspto-grants-2015_09

HRID 2360827As productuspto-grants-2014_04

Compound notes

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