5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione

C16H16N2O2 — CID 118488344

IUPAC5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCCN(C)c1cc2c3c(cccc3c1)C(=O)N(C)C2=O
InChIInChI=1S/C16H16N2O2/c1-4-17(2)11-8-10-6-5-7-12-14(10)13(9-11)16(20)18(3)15(12)19/h5-9H,4H2,1-3H3
InChIKeyZTBXZLXLICIOKY-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.52
Rot. Bonds2

About 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione

5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione (PubChem CID 118488344) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione
PubChem CID118488344
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione
SMILESCCN(C)c1cc2c3c(cccc3c1)C(=O)N(C)C2=O
InChIInChI=1S/C16H16N2O2/c1-4-17(2)11-8-10-6-5-7-12-14(10)13(9-11)16(20)18(3)15(12)19/h5-9H,4H2,1-3H3
InChIKeyZTBXZLXLICIOKY-UHFFFAOYSA-N
XLogP2.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Amonafide
CID 50515
Mitonafide
CID 327044
4-Amino-1,8-naphthalimide
CID 1720
2-butyl-6-(butylamino)-1H-benzo(de)isoquinoline-1,3(2H)-dione
CID 87935
Pigment Red 149
CID 62555
Pinafide
CID 327045
Grl-0617
CID 24941262
Solvent Yellow 44
CID 75589
4-Amino-N-phenyl-1,8-naphthalimide
CID 202512
1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-
CID 328773
2-(3-Dimethylamino-propyl)-benzo[de]isoquinoline-1,3-dione
CID 2834616
6-Dimethylamino-2-methyl-benzo[de]isoquinoline-1,3-dione
CID 2849973

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione (CID 118488344) is 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione is CCN(C)c1cc2c3c(cccc3c1)C(=O)N(C)C2=O.
What is the InChIKey of 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione?
The InChIKey is ZTBXZLXLICIOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-4-17(2)11-8-10-6-5-7-12-14(10)13(9-11)16(20)18(3)15(12)19/h5-9H,4H2,1-3H3.
What are the key properties of 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione?
5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione has a molecular weight of 268.32 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(methyl)amino]-2-methylbenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 118488344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).