2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione

C22H17NO3 — CID 118732921

IUPAC2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2cc(Cc3ccc(-c4ccccc4)cc3)ccc2C(=O)N1O
InChIInChI=1S/C22H17NO3/c24-21-14-19-13-16(8-11-20(19)22(25)23(21)26)12-15-6-9-18(10-7-15)17-4-2-1-3-5-17/h1-11,13,26H,12,14H2
InChIKeyFMWWGWLFONHVSV-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.86
Rot. Bonds3

About 2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione

2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione (PubChem CID 118732921) has the molecular formula C22H17NO3 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione
PubChem CID118732921
Molecular FormulaC22H17NO3
Molecular Weight343.38 g/mol
Exact Mass343.12
IUPAC Name2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2cc(Cc3ccc(-c4ccccc4)cc3)ccc2C(=O)N1O
InChIInChI=1S/C22H17NO3/c24-21-14-19-13-16(8-11-20(19)22(25)23(21)26)12-15-6-9-18(10-7-15)17-4-2-1-3-5-17/h1-11,13,26H,12,14H2
InChIKeyFMWWGWLFONHVSV-UHFFFAOYSA-N
XLogP3.86
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione (CID 118732921) is 2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione is O=C1Cc2cc(Cc3ccc(-c4ccccc4)cc3)ccc2C(=O)N1O.
What is the InChIKey of 2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione?
The InChIKey is FMWWGWLFONHVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO3/c24-21-14-19-13-16(8-11-20(19)22(25)23(21)26)12-15-6-9-18(10-7-15)17-4-2-1-3-5-17/h1-11,13,26H,12,14H2.
What are the key properties of 2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione?
2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione has a molecular weight of 343.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[(4-phenylphenyl)methyl]-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 118732921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).