5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione

C24H16N2O4 — CID 1217616

IUPAC5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione
SMILESCOc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cccc3ncccc13)C2=O
InChIInChI=1S/C24H16N2O4/c1-29-21-9-2-3-10-22(21)30-15-11-12-16-18(14-15)24(28)26(23(16)27)20-8-4-7-19-17(20)6-5-13-25-19/h2-14H,1H3
InChIKeyFXGBVCJGFHIUJX-UHFFFAOYSA-N
MW396.40 g/mol
LogP4.84
Rot. Bonds4

About 5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione

5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione (PubChem CID 1217616) has the molecular formula C24H16N2O4 and a molecular weight of 396.40 g/mol. Its IUPAC name is 5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione
PubChem CID1217616
Molecular FormulaC24H16N2O4
Molecular Weight396.40 g/mol
Exact Mass396.11
IUPAC Name5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione
SMILESCOc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cccc3ncccc13)C2=O
InChIInChI=1S/C24H16N2O4/c1-29-21-9-2-3-10-22(21)30-15-11-12-16-18(14-15)24(28)26(23(16)27)20-8-4-7-19-17(20)6-5-13-25-19/h2-14H,1H3
InChIKeyFXGBVCJGFHIUJX-UHFFFAOYSA-N
XLogP4.84
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione?
The IUPAC name of 5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione (CID 1217616) is 5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione.
What is the SMILES notation for 5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione?
The canonical SMILES for 5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione is COc1ccccc1Oc1ccc2c(c1)C(=O)N(c1cccc3ncccc13)C2=O.
What is the InChIKey of 5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione?
The InChIKey is FXGBVCJGFHIUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O4/c1-29-21-9-2-3-10-22(21)30-15-11-12-16-18(14-15)24(28)26(23(16)27)20-8-4-7-19-17(20)6-5-13-25-19/h2-14H,1H3.
What are the key properties of 5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione?
5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione has a molecular weight of 396.40 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenoxy)-2-quinolin-5-ylisoindole-1,3-dione is sourced from PubChem (CID 1217616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).