6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione

C18H18N2O2 — CID 18400496

IUPAC6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione
SMILESNc1ccc2c3c(cccc13)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C18H18N2O2/c19-15-10-9-14-16-12(15)7-4-8-13(16)17(21)20(18(14)22)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6,19H2
InChIKeyRZDCAIDREMSTFR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.35
Rot. Bonds1

About 6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione

6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione (PubChem CID 18400496) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione
PubChem CID18400496
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione
SMILESNc1ccc2c3c(cccc13)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C18H18N2O2/c19-15-10-9-14-16-12(15)7-4-8-13(16)17(21)20(18(14)22)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6,19H2
InChIKeyRZDCAIDREMSTFR-UHFFFAOYSA-N
XLogP3.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione (CID 18400496) is 6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione is Nc1ccc2c3c(cccc13)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of 6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is RZDCAIDREMSTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c19-15-10-9-14-16-12(15)7-4-8-13(16)17(21)20(18(14)22)11-5-2-1-3-6-11/h4,7-11H,1-3,5-6,19H2.
What are the key properties of 6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione?
6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 294.35 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-cyclohexylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 18400496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).