3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione

C19H23N7O5 — CID 166142063

IUPAC3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
SMILES[N-]=[N+]=NCCOCCOCCNc1cccc2cnn(C3CCC(=O)NC3=O)c(=O)c12
InChIInChI=1S/C19H23N7O5/c20-25-22-7-9-31-11-10-30-8-6-21-14-3-1-2-13-12-23-26(19(29)17(13)14)15-4-5-16(27)24-18(15)28/h1-3,12,15,21H,4-11H2,(H,24,27,28)
InChIKeyDVTFEEWXQRWBKT-UHFFFAOYSA-N
MW429.44 g/mol
LogP1.13
Rot. Bonds11

About 3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione

3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione (PubChem CID 166142063) has the molecular formula C19H23N7O5 and a molecular weight of 429.44 g/mol. Its IUPAC name is 3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
PubChem CID166142063
Molecular FormulaC19H23N7O5
Molecular Weight429.44 g/mol
Exact Mass429.18
IUPAC Name3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
SMILES[N-]=[N+]=NCCOCCOCCNc1cccc2cnn(C3CCC(=O)NC3=O)c(=O)c12
InChIInChI=1S/C19H23N7O5/c20-25-22-7-9-31-11-10-30-8-6-21-14-3-1-2-13-12-23-26(19(29)17(13)14)15-4-5-16(27)24-18(15)28/h1-3,12,15,21H,4-11H2,(H,24,27,28)
InChIKeyDVTFEEWXQRWBKT-UHFFFAOYSA-N
XLogP1.13
TPSA160.31 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[8-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 170209294
3-[8-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 166141933
3-[8-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione;hydrochloride
CID 166141932
3-[8-[2-[2-[2-(3-aminophenoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 166142060
3-[1-oxo-8-[2-[2-(3-oxo-3-piperazin-1-ylpropoxy)ethoxy]ethylamino]phthalazin-2-yl]piperidine-2,6-dione
CID 166142021
3-[4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]isoindol-2-yl]piperidine-2,6-dione
CID 155680726
3-[7-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 150748364
6-[[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]amino]hexanoic acid
CID 171637123
1-[2-[[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]amino]ethoxy]ethyl N-tert-butylcarbamate
CID 175430674
3-[5-[2-[2-[2-(3-aminophenoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 169054185
1-[2-[2-(2-azidoethoxy)ethoxy]ethyl]-3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]urea
CID 169161518
N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide
CID 170207210

Frequently Asked Questions

What is the IUPAC name of 3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione (CID 166142063) is 3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione is [N-]=[N+]=NCCOCCOCCNc1cccc2cnn(C3CCC(=O)NC3=O)c(=O)c12.
What is the InChIKey of 3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione?
The InChIKey is DVTFEEWXQRWBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O5/c20-25-22-7-9-31-11-10-30-8-6-21-14-3-1-2-13-12-23-26(19(29)17(13)14)15-4-5-16(27)24-18(15)28/h1-3,12,15,21H,4-11H2,(H,24,27,28).
What are the key properties of 3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione?
3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione has a molecular weight of 429.44 g/mol, XLogP of 1.13, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166142063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).