2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione

C18H20N2O4 — CID 67003258

IUPAC2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione
SMILESCOc1cc2c3c(ccc(OC)c3c1)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C18H20N2O4/c1-19(2)7-8-20-17(21)12-5-6-15(24-4)13-9-11(23-3)10-14(16(12)13)18(20)22/h5-6,9-10H,7-8H2,1-4H3
InChIKeyQCVQVXYSZCEMSH-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.01
Rot. Bonds5

About 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione

2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione (PubChem CID 67003258) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione
PubChem CID67003258
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione
SMILESCOc1cc2c3c(ccc(OC)c3c1)C(=O)N(CCN(C)C)C2=O
InChIInChI=1S/C18H20N2O4/c1-19(2)7-8-20-17(21)12-5-6-15(24-4)13-9-11(23-3)10-14(16(12)13)18(20)22/h5-6,9-10H,7-8H2,1-4H3
InChIKeyQCVQVXYSZCEMSH-UHFFFAOYSA-N
XLogP2.01
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione (CID 67003258) is 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione is COc1cc2c3c(ccc(OC)c3c1)C(=O)N(CCN(C)C)C2=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is QCVQVXYSZCEMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-19(2)7-8-20-17(21)12-5-6-15(24-4)13-9-11(23-3)10-14(16(12)13)18(20)22/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione?
2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 328.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-5,7-dimethoxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 67003258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).