5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione

C24H16N2O3 — CID 1296770

IUPAC5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione
SMILESCc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc4cccnc24)C3=O)cc1
InChIInChI=1S/C24H16N2O3/c1-15-7-9-17(10-8-15)29-18-11-12-19-20(14-18)24(28)26(23(19)27)21-6-2-4-16-5-3-13-25-22(16)21/h2-14H,1H3
InChIKeyCLVBVQJILIPRCB-UHFFFAOYSA-N
MW380.40 g/mol
LogP5.14
Rot. Bonds3

About 5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione

5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione (PubChem CID 1296770) has the molecular formula C24H16N2O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is 5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione
PubChem CID1296770
Molecular FormulaC24H16N2O3
Molecular Weight380.40 g/mol
Exact Mass380.12
IUPAC Name5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione
SMILESCc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc4cccnc24)C3=O)cc1
InChIInChI=1S/C24H16N2O3/c1-15-7-9-17(10-8-15)29-18-11-12-19-20(14-18)24(28)26(23(19)27)21-6-2-4-16-5-3-13-25-22(16)21/h2-14H,1H3
InChIKeyCLVBVQJILIPRCB-UHFFFAOYSA-N
XLogP5.14
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.40
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione?
The IUPAC name of 5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione (CID 1296770) is 5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione.
What is the SMILES notation for 5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione?
The canonical SMILES for 5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione is Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc4cccnc24)C3=O)cc1.
What is the InChIKey of 5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione?
The InChIKey is CLVBVQJILIPRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O3/c1-15-7-9-17(10-8-15)29-18-11-12-19-20(14-18)24(28)26(23(19)27)21-6-2-4-16-5-3-13-25-22(16)21/h2-14H,1H3.
What are the key properties of 5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione?
5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione has a molecular weight of 380.40 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenoxy)-2-quinolin-8-ylisoindole-1,3-dione is sourced from PubChem (CID 1296770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).