4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione

C14H19N3O2 — CID 71369551

IUPAC4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione
SMILESCCN1C(=O)c2c(N)ccc(N(CC)CC)c2C1=O
InChIInChI=1S/C14H19N3O2/c1-4-16(5-2)10-8-7-9(15)11-12(10)14(19)17(6-3)13(11)18/h7-8H,4-6,15H2,1-3H3
InChIKeyQJLRXCBWNFQSRL-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.73
Rot. Bonds4

About 4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione

4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione (PubChem CID 71369551) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione
PubChem CID71369551
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione
SMILESCCN1C(=O)c2c(N)ccc(N(CC)CC)c2C1=O
InChIInChI=1S/C14H19N3O2/c1-4-16(5-2)10-8-7-9(15)11-12(10)14(19)17(6-3)13(11)18/h7-8H,4-6,15H2,1-3H3
InChIKeyQJLRXCBWNFQSRL-UHFFFAOYSA-N
XLogP1.73
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione?
The IUPAC name of 4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione (CID 71369551) is 4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione.
What is the SMILES notation for 4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione?
The canonical SMILES for 4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione is CCN1C(=O)c2c(N)ccc(N(CC)CC)c2C1=O.
What is the InChIKey of 4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione?
The InChIKey is QJLRXCBWNFQSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-4-16(5-2)10-8-7-9(15)11-12(10)14(19)17(6-3)13(11)18/h7-8H,4-6,15H2,1-3H3.
What are the key properties of 4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione?
4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione has a molecular weight of 261.32 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-(diethylamino)-2-ethylisoindole-1,3-dione is sourced from PubChem (CID 71369551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).