ST039006
Basic information
- CAS
5771-93-7- Standard SMILES
Cc1ccc2c3c(ccc2n1)NC1=C(C(=O)CCC1)C3c1ccccn1- InChIKey
YVPMSDNAKOVTPI-UHFFFAOYSA-N- Molecular formula
- C22H19N3O
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.15281224
Names & identifiers
- Preferred name
- ST039006
- IUPAC
- 3-methyl-12-pyridin-2-yl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
Names & synonyms
5771-93-7ST039006DTXSID60347463RefChem:381354DTXCID902985353-Methyl-12-pyridin-2-yl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one3-methyl-12-pyridin-2-yl-8,9,10,12-tetrahydrobenzo[b]-4,7-phenanthrolin-11(7H)-one3-methyl-12-(pyridin-2-yl)-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-oneOprea1_695448YVPMSDNAKOVTPI-UHFFFAOYSA-NSTK767534AKOS001730258
Show more names
AKOS022019195SR-01000104456SR-01000104456-13-Methyl-12-(2-pyridinyl)-8,9,10,12-tetrahydrobenzo[b][4,7]phenanthrolin-11(7H)-one #3-methyl-12-(2-pyridyl)-7,8,9,10,12-pentahydropyridino[3,2-a]acridin-11-one3-methyl-12-(2-pyridyl)-8,9,10,12-tetrahydro-7h-benzo[b][4,7]phenanthrolin-11-one
Database identifiers
- CAS
5771-93-7- PubChem CID
- 621900
- DTXSID
DTXSID60347463
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 54.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 600
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Compound notes
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