2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione

C24H28N2O4 — CID 156597837

IUPAC2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione
SMILESCCN(CC)CCCN1C(=O)c2c(c(C)c3c(oc4ccc(OC)cc43)c2C)C1=O
InChIInChI=1S/C24H28N2O4/c1-6-25(7-2)11-8-12-26-23(27)20-14(3)19-17-13-16(29-5)9-10-18(17)30-22(19)15(4)21(20)24(26)28/h9-10,13H,6-8,11-12H2,1-5H3
InChIKeyWDBJWHQQADAAIC-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.54
Rot. Bonds7

About 2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione

2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione (PubChem CID 156597837) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione
PubChem CID156597837
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione
SMILESCCN(CC)CCCN1C(=O)c2c(c(C)c3c(oc4ccc(OC)cc43)c2C)C1=O
InChIInChI=1S/C24H28N2O4/c1-6-25(7-2)11-8-12-26-23(27)20-14(3)19-17-13-16(29-5)9-10-18(17)30-22(19)15(4)21(20)24(26)28/h9-10,13H,6-8,11-12H2,1-5H3
InChIKeyWDBJWHQQADAAIC-UHFFFAOYSA-N
XLogP4.54
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.54
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 2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione?
The IUPAC name of 2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione (CID 156597837) is 2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione is CCN(CC)CCCN1C(=O)c2c(c(C)c3c(oc4ccc(OC)cc43)c2C)C1=O.
What is the InChIKey of 2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione?
The InChIKey is WDBJWHQQADAAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-6-25(7-2)11-8-12-26-23(27)20-14(3)19-17-13-16(29-5)9-10-18(17)30-22(19)15(4)21(20)24(26)28/h9-10,13H,6-8,11-12H2,1-5H3.
What are the key properties of 2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione?
2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione has a molecular weight of 408.50 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)propyl]-6-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione is sourced from PubChem (CID 156597837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).