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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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).