6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione

C18H20N4O3 — CID 132937127

IUPAC6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione
SMILESNNc1ccc2c3c(cccc13)C(=O)N(CCN1CCOCC1)C2=O
InChIInChI=1S/C18H20N4O3/c19-20-15-5-4-14-16-12(15)2-1-3-13(16)17(23)22(18(14)24)7-6-21-8-10-25-11-9-21/h1-5,20H,6-11,19H2
InChIKeyMXLCMEMNHPCREM-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.05
Rot. Bonds4

About 6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione

6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 132937127) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione
PubChem CID132937127
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione
SMILESNNc1ccc2c3c(cccc13)C(=O)N(CCN1CCOCC1)C2=O
InChIInChI=1S/C18H20N4O3/c19-20-15-5-4-14-16-12(15)2-1-3-13(16)17(23)22(18(14)24)7-6-21-8-10-25-11-9-21/h1-5,20H,6-11,19H2
InChIKeyMXLCMEMNHPCREM-UHFFFAOYSA-N
XLogP1.05
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione (CID 132937127) is 6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione is NNc1ccc2c3c(cccc13)C(=O)N(CCN1CCOCC1)C2=O.
What is the InChIKey of 6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is MXLCMEMNHPCREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c19-20-15-5-4-14-16-12(15)2-1-3-13(16)17(23)22(18(14)24)7-6-21-8-10-25-11-9-21/h1-5,20H,6-11,19H2.
What are the key properties of 6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione?
6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 340.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-(2-morpholin-4-ylethyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 132937127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).