3-phenyl-2H-isoquinolin-1-one

C15H11NO — CID 2752870

IUPAC3-phenyl-2H-isoquinolin-1-one
SMILESO=c1[nH]c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C15H11NO/c17-15-13-9-5-4-8-12(13)10-14(16-15)11-6-2-1-3-7-11/h1-10H,(H,16,17)
InChIKeyVZYRBVZOGGKAKY-UHFFFAOYSA-N
MW221.26 g/mol
LogP3.20
Rot. Bonds1

About 3-phenyl-2H-isoquinolin-1-one

3-phenyl-2H-isoquinolin-1-one (PubChem CID 2752870) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-phenyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-phenyl-2H-isoquinolin-1-one
PubChem CID2752870
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name3-phenyl-2H-isoquinolin-1-one
SMILESO=c1[nH]c(-c2ccccc2)cc2ccccc12
InChIInChI=1S/C15H11NO/c17-15-13-9-5-4-8-12(13)10-14(16-15)11-6-2-1-3-7-11/h1-10H,(H,16,17)
InChIKeyVZYRBVZOGGKAKY-UHFFFAOYSA-N
XLogP3.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2H-isoquinolin-1-one?
The IUPAC name of 3-phenyl-2H-isoquinolin-1-one (CID 2752870) is 3-phenyl-2H-isoquinolin-1-one.
What is the SMILES notation for 3-phenyl-2H-isoquinolin-1-one?
The canonical SMILES for 3-phenyl-2H-isoquinolin-1-one is O=c1[nH]c(-c2ccccc2)cc2ccccc12.
What is the InChIKey of 3-phenyl-2H-isoquinolin-1-one?
The InChIKey is VZYRBVZOGGKAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-15-13-9-5-4-8-12(13)10-14(16-15)11-6-2-1-3-7-11/h1-10H,(H,16,17).
What are the key properties of 3-phenyl-2H-isoquinolin-1-one?
3-phenyl-2H-isoquinolin-1-one has a molecular weight of 221.26 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2H-isoquinolin-1-one is sourced from PubChem (CID 2752870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).