8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

C22H17FN2O — CID 554582

IUPAC8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)Nc1ccc3ncccc3c12
InChIInChI=1S/C22H17FN2O/c23-14-8-6-13(7-9-14)22-21-16(3-1-5-19(21)26)20-15-4-2-12-24-17(15)10-11-18(20)25-22/h2,4,6-12,22,25H,1,3,5H2
InChIKeyUKAIAWABJOKUOR-UHFFFAOYSA-N
MW344.39 g/mol
LogP5.05
Rot. Bonds1

About 8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one

8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (PubChem CID 554582) has the molecular formula C22H17FN2O and a molecular weight of 344.39 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.

Molecular Properties

Compound Name8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
PubChem CID554582
Molecular FormulaC22H17FN2O
Molecular Weight344.39 g/mol
Exact Mass344.13
IUPAC Name8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
SMILESO=C1CCCC2=C1C(c1ccc(F)cc1)Nc1ccc3ncccc3c12
InChIInChI=1S/C22H17FN2O/c23-14-8-6-13(7-9-14)22-21-16(3-1-5-19(21)26)20-15-4-2-12-24-17(15)10-11-18(20)25-22/h2,4,6-12,22,25H,1,3,5H2
InChIKeyUKAIAWABJOKUOR-UHFFFAOYSA-N
XLogP5.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The IUPAC name of 8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one (CID 554582) is 8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one.
What is the SMILES notation for 8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The canonical SMILES for 8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is O=C1CCCC2=C1C(c1ccc(F)cc1)Nc1ccc3ncccc3c12.
What is the InChIKey of 8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
The InChIKey is UKAIAWABJOKUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O/c23-14-8-6-13(7-9-14)22-21-16(3-1-5-19(21)26)20-15-4-2-12-24-17(15)10-11-18(20)25-22/h2,4,6-12,22,25H,1,3,5H2.
What are the key properties of 8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one?
8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one has a molecular weight of 344.39 g/mol, XLogP of 5.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one is sourced from PubChem (CID 554582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).