6-phenylisoquinolino[2,1-b]isoquinolin-8-one

C23H15NO — CID 164679594

IUPAC6-phenylisoquinolino[2,1-b]isoquinolin-8-one
SMILESO=c1c2ccccc2cc2c3ccccc3cc(-c3ccccc3)n12
InChIInChI=1S/C23H15NO/c25-23-20-13-7-5-11-18(20)15-22-19-12-6-4-10-17(19)14-21(24(22)23)16-8-2-1-3-9-16/h1-15H
InChIKeyWVDYPHBLICNNPA-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.27
Rot. Bonds1

About 6-phenylisoquinolino[2,1-b]isoquinolin-8-one

6-phenylisoquinolino[2,1-b]isoquinolin-8-one (PubChem CID 164679594) has the molecular formula C23H15NO and a molecular weight of 321.38 g/mol. Its IUPAC name is 6-phenylisoquinolino[2,1-b]isoquinolin-8-one.

Molecular Properties

Compound Name6-phenylisoquinolino[2,1-b]isoquinolin-8-one
PubChem CID164679594
Molecular FormulaC23H15NO
Molecular Weight321.38 g/mol
Exact Mass321.12
IUPAC Name6-phenylisoquinolino[2,1-b]isoquinolin-8-one
SMILESO=c1c2ccccc2cc2c3ccccc3cc(-c3ccccc3)n12
InChIInChI=1S/C23H15NO/c25-23-20-13-7-5-11-18(20)15-22-19-12-6-4-10-17(19)14-21(24(22)23)16-8-2-1-3-9-16/h1-15H
InChIKeyWVDYPHBLICNNPA-UHFFFAOYSA-N
XLogP5.27
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-2-propylisoquinolin-1-one
CID 102338692
12-phenyl-9-(10-phenylanthracen-9-yl)isoquinolino[2,1-a]quinazolin-6-one
CID 171448073
5-(4-phenylphenyl)pyrrolo[2,1-a]isoquinoline
CID 71484660
6-(4,6-diphenyl-1,3,5-triazin-2-yl)isoquinolino[1,2-b]quinazolin-8-one
CID 171606304
2-phenyl-3-pyridin-4-ylisoquinolin-1-one
CID 15193134
17-azaheptacyclo[15.10.1.02,7.09,28.010,15.018,27.020,25]octacosa-1(28),2,4,6,8,10,12,14,18,20,22,24,26-tridecaen-16-one
CID 137401452
3-phenyl-[1,3]thiazolo[2,3-b]quinazolin-5-one
CID 3569212
3-(4-methoxyphenyl)-2-methylisoquinolin-1-one
CID 1233900
3-(4-methylsulfanylphenyl)-2-phenylisoquinolin-1-one
CID 102338686
2,3-dimethylisoquinolin-1-one;ethane
CID 91490725
3,5-diphenyl-6-azapentacyclo[11.8.0.02,6.07,12.016,21]henicosa-1(13),2,4,7,9,11,14,16,18,20-decaene
CID 139436539
6-chloro-2-methyl-3-phenylisoquinolin-1-one
CID 12931129

Frequently Asked Questions

What is the IUPAC name of 6-phenylisoquinolino[2,1-b]isoquinolin-8-one?
The IUPAC name of 6-phenylisoquinolino[2,1-b]isoquinolin-8-one (CID 164679594) is 6-phenylisoquinolino[2,1-b]isoquinolin-8-one.
What is the SMILES notation for 6-phenylisoquinolino[2,1-b]isoquinolin-8-one?
The canonical SMILES for 6-phenylisoquinolino[2,1-b]isoquinolin-8-one is O=c1c2ccccc2cc2c3ccccc3cc(-c3ccccc3)n12.
What is the InChIKey of 6-phenylisoquinolino[2,1-b]isoquinolin-8-one?
The InChIKey is WVDYPHBLICNNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO/c25-23-20-13-7-5-11-18(20)15-22-19-12-6-4-10-17(19)14-21(24(22)23)16-8-2-1-3-9-16/h1-15H.
What are the key properties of 6-phenylisoquinolino[2,1-b]isoquinolin-8-one?
6-phenylisoquinolino[2,1-b]isoquinolin-8-one has a molecular weight of 321.38 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylisoquinolino[2,1-b]isoquinolin-8-one is sourced from PubChem (CID 164679594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).