7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione

C16H13NO3 — CID 736902

IUPAC7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)C2
InChIInChI=1S/C16H13NO3/c1-20-13-8-7-11-9-15(18)17(16(19)14(11)10-13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyKSLUUXJHFSKWNH-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.42
Rot. Bonds2

About 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione

7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione (PubChem CID 736902) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione.

Molecular Properties

Compound Name7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione
PubChem CID736902
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)C2
InChIInChI=1S/C16H13NO3/c1-20-13-8-7-11-9-15(18)17(16(19)14(11)10-13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3
InChIKeyKSLUUXJHFSKWNH-UHFFFAOYSA-N
XLogP2.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.42
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 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione?
The IUPAC name of 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione (CID 736902) is 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione.
What is the SMILES notation for 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione?
The canonical SMILES for 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione is COc1ccc2c(c1)C(=O)N(c1ccccc1)C(=O)C2.
What is the InChIKey of 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione?
The InChIKey is KSLUUXJHFSKWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-20-13-8-7-11-9-15(18)17(16(19)14(11)10-13)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3.
What are the key properties of 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione?
7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-phenyl-4H-isoquinoline-1,3-dione is sourced from PubChem (CID 736902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).