2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione

C16H15N5O2 — CID 102499786

IUPAC2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione
SMILESCN(C)c1ccc2c3c(cccc13)C(=O)N(CCN=[N+]=[N-])C2=O
InChIInChI=1S/C16H15N5O2/c1-20(2)13-7-6-12-14-10(13)4-3-5-11(14)15(22)21(16(12)23)9-8-18-19-17/h3-7H,8-9H2,1-2H3
InChIKeyCQBDSKUNZOBRPG-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.81
Rot. Bonds4

About 2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione

2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione (PubChem CID 102499786) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione
PubChem CID102499786
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione
SMILESCN(C)c1ccc2c3c(cccc13)C(=O)N(CCN=[N+]=[N-])C2=O
InChIInChI=1S/C16H15N5O2/c1-20(2)13-7-6-12-14-10(13)4-3-5-11(14)15(22)21(16(12)23)9-8-18-19-17/h3-7H,8-9H2,1-2H3
InChIKeyCQBDSKUNZOBRPG-UHFFFAOYSA-N
XLogP2.81
TPSA89.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-[6-(dimethylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]-2-methylbutanoic acid
CID 59398495
2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-6-bromobenzo[de]isoquinoline-1,3-dione
CID 56654880
N-(2-butyl-1,3-dioxobenzo[de]isoquinolin-6-yl)-N-methylnitrous amide
CID 132523078
6-(dimethylamino)-2-propan-2-ylbenzo[de]isoquinoline-1,3-dione
CID 102241953
6-[methyl(3-sulfanylpropyl)amino]-2-(2-sulfanylethyl)benzo[de]isoquinoline-1,3-dione
CID 142469191
6-(dimethylamino)-2-(2,5-dimethylphenyl)benzo[de]isoquinoline-1,3-dione
CID 805605
6-[bis(2-hydroxyethyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione
CID 4891328
10-(dimethylamino)-15-[2-(dimethylamino)ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10570585
2-[3-[bis(3-aminopropyl)amino]propyl]-6-(diethylamino)benzo[de]isoquinoline-1,3-dione
CID 164520011
2-amino-6-(diethylamino)benzo[de]isoquinoline-1,3-dione
CID 102014868
6-bromo-2-[2-[2-(6-bromo-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]ethyl]benzo[de]isoquinoline-1,3-dione
CID 59769116
azido 2-[6-(6-azidohex-1-ynyl)-1,3-dioxobenzo[de]isoquinolin-2-yl]ethanesulfonate
CID 121286158

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione (CID 102499786) is 2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione is CN(C)c1ccc2c3c(cccc13)C(=O)N(CCN=[N+]=[N-])C2=O.
What is the InChIKey of 2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione?
The InChIKey is CQBDSKUNZOBRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-20(2)13-7-6-12-14-10(13)4-3-5-11(14)15(22)21(16(12)23)9-8-18-19-17/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione?
2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione has a molecular weight of 309.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethyl)-6-(dimethylamino)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 102499786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).