2-phenylmethoxy-4H-isoquinoline-1,3-dione

C16H13NO3 — CID 25180651

IUPAC2-phenylmethoxy-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccccc2C(=O)N1OCc1ccccc1
InChIInChI=1S/C16H13NO3/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)20-11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyLHIDMDRTGMUMAH-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.34
Rot. Bonds3

About 2-phenylmethoxy-4H-isoquinoline-1,3-dione

2-phenylmethoxy-4H-isoquinoline-1,3-dione (PubChem CID 25180651) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-phenylmethoxy-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-phenylmethoxy-4H-isoquinoline-1,3-dione
PubChem CID25180651
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-phenylmethoxy-4H-isoquinoline-1,3-dione
SMILESO=C1Cc2ccccc2C(=O)N1OCc1ccccc1
InChIInChI=1S/C16H13NO3/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)20-11-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeyLHIDMDRTGMUMAH-UHFFFAOYSA-N
XLogP2.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-4H-isoquinoline-1,3-dione?
The IUPAC name of 2-phenylmethoxy-4H-isoquinoline-1,3-dione (CID 25180651) is 2-phenylmethoxy-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 2-phenylmethoxy-4H-isoquinoline-1,3-dione?
The canonical SMILES for 2-phenylmethoxy-4H-isoquinoline-1,3-dione is O=C1Cc2ccccc2C(=O)N1OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxy-4H-isoquinoline-1,3-dione?
The InChIKey is LHIDMDRTGMUMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-15-10-13-8-4-5-9-14(13)16(19)17(15)20-11-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 2-phenylmethoxy-4H-isoquinoline-1,3-dione?
2-phenylmethoxy-4H-isoquinoline-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 25180651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).