5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione

C16H17N3O2 — CID 174524735

IUPAC5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione
SMILESCC(C)(N)CN1C(=O)c2cccc3cc(N)cc(c23)C1=O
InChIInChI=1S/C16H17N3O2/c1-16(2,18)8-19-14(20)11-5-3-4-9-6-10(17)7-12(13(9)11)15(19)21/h3-7H,8,17-18H2,1-2H3
InChIKeyHNQKEISBYXYYOX-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.76
Rot. Bonds2

About 5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione

5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 174524735) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione
PubChem CID174524735
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione
SMILESCC(C)(N)CN1C(=O)c2cccc3cc(N)cc(c23)C1=O
InChIInChI=1S/C16H17N3O2/c1-16(2,18)8-19-14(20)11-5-3-4-9-6-10(17)7-12(13(9)11)15(19)21/h3-7H,8,17-18H2,1-2H3
InChIKeyHNQKEISBYXYYOX-UHFFFAOYSA-N
XLogP1.76
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
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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Related Compounds

[3-(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)-2,2-dimethylpropyl]-[6-[[3-(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)-2,2-dimethylpropyl]-dimethylazaniumyl]hexyl]-dimethylazanium dibromide
CID 46887661
5-bromo-2-(2,2-dimethylpropyl)benzo[de]isoquinoline-1,3-dione
CID 57338929
5-amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione;2-hydroxyacetic acid
CID 10150216
6-[3-[3-(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)propylamino]propyl]-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10,12-hexaene-5,7-dione
CID 67770205
7-amino-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
CID 12680923
(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl) trifluoromethanesulfonate
CID 138457047
6-[3-[4-[3-(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)propylamino]butylamino]propyl]-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7-dione
CID 10008790
5-amino-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 130471871
5-amino-2-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 130472058
fluoranthen-2-amine
CID 25757
2-(1-amino-2-methylpropan-2-yl)benzo[de]isoquinoline-1,3-dione
CID 63194158
ethane;7-methyl-1-propylbenzo[cd]indol-2-one
CID 178168650

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione (CID 174524735) is 5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione is CC(C)(N)CN1C(=O)c2cccc3cc(N)cc(c23)C1=O.
What is the InChIKey of 5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is HNQKEISBYXYYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-16(2,18)8-19-14(20)11-5-3-4-9-6-10(17)7-12(13(9)11)15(19)21/h3-7H,8,17-18H2,1-2H3.
What are the key properties of 5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione?
5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 283.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 174524735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).