2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione

C28H22N2O5 — CID 11641282

IUPAC2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1
InChIInChI=1S/C28H22N2O5/c31-24-16-26(29-11-13-34-14-12-29)35-25-15-20(9-10-23(24)25)19-7-5-18(6-8-19)17-30-27(32)21-3-1-2-4-22(21)28(30)33/h1-10,15-16H,11-14,17H2
InChIKeyTWGJVODOIWPGMH-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.09
Rot. Bonds4

About 2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione

2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione (PubChem CID 11641282) has the molecular formula C28H22N2O5 and a molecular weight of 466.49 g/mol. Its IUPAC name is 2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione
PubChem CID11641282
Molecular FormulaC28H22N2O5
Molecular Weight466.49 g/mol
Exact Mass466.15
IUPAC Name2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1
InChIInChI=1S/C28H22N2O5/c31-24-16-26(29-11-13-34-14-12-29)35-25-15-20(9-10-23(24)25)19-7-5-18(6-8-19)17-30-27(32)21-3-1-2-4-22(21)28(30)33/h1-10,15-16H,11-14,17H2
InChIKeyTWGJVODOIWPGMH-UHFFFAOYSA-N
XLogP4.09
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione (CID 11641282) is 2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1ccc(-c2ccc3c(=O)cc(N4CCOCC4)oc3c2)cc1.
What is the InChIKey of 2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione?
The InChIKey is TWGJVODOIWPGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O5/c31-24-16-26(29-11-13-34-14-12-29)35-25-15-20(9-10-23(24)25)19-7-5-18(6-8-19)17-30-27(32)21-3-1-2-4-22(21)28(30)33/h1-10,15-16H,11-14,17H2.
What are the key properties of 2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione?
2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione has a molecular weight of 466.49 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-morpholin-4-yl-4-oxochromen-7-yl)phenyl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 11641282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).