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

C14H12N2O2 — CID 3099740

IUPAC6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione
SMILESCCN1C(=O)c2cccc3c(N)ccc(c23)C1=O
InChIInChI=1S/C14H12N2O2/c1-2-16-13(17)9-5-3-4-8-11(15)7-6-10(12(8)9)14(16)18/h3-7H,2,15H2,1H3
InChIKeyIVOGNGTWIAHILF-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.04
Rot. Bonds1

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

6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione (PubChem CID 3099740) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione
PubChem CID3099740
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione
SMILESCCN1C(=O)c2cccc3c(N)ccc(c23)C1=O
InChIInChI=1S/C14H12N2O2/c1-2-16-13(17)9-5-3-4-8-11(15)7-6-10(12(8)9)14(16)18/h3-7H,2,15H2,1H3
InChIKeyIVOGNGTWIAHILF-UHFFFAOYSA-N
XLogP2.04
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.04
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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Related Compounds

CID 50515
CID 50515
CID 327044
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CID 1720
CID 1720
CID 87935
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CID 24941262
CID 24941262
CID 75589
CID 75589
CID 202512
CID 202512
CID 328773
CID 328773
CID 819865
CID 819865
CID 2849973
CID 2849973
CID 10216071
CID 10216071
CID 18369509
CID 18369509

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione (CID 3099740) is 6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione is CCN1C(=O)c2cccc3c(N)ccc(c23)C1=O.
What is the InChIKey of 6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is IVOGNGTWIAHILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-2-16-13(17)9-5-3-4-8-11(15)7-6-10(12(8)9)14(16)18/h3-7H,2,15H2,1H3.
What are the key properties of 6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione?
6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 240.26 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-ethylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 3099740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).