6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione

C22H20N2O4 — CID 1101818

IUPAC6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccccc1N1C(=O)c2cccc3c(N(C)CCO)ccc(c23)C1=O
InChIInChI=1S/C22H20N2O4/c1-23(12-13-25)17-11-10-16-20-14(17)6-5-7-15(20)21(26)24(22(16)27)18-8-3-4-9-19(18)28-2/h3-11,25H,12-13H2,1-2H3
InChIKeyFSDVCBDDRPLDOH-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.08
Rot. Bonds5

About 6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione

6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 1101818) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
PubChem CID1101818
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
SMILESCOc1ccccc1N1C(=O)c2cccc3c(N(C)CCO)ccc(c23)C1=O
InChIInChI=1S/C22H20N2O4/c1-23(12-13-25)17-11-10-16-20-14(17)6-5-7-15(20)21(26)24(22(16)27)18-8-3-4-9-19(18)28-2/h3-11,25H,12-13H2,1-2H3
InChIKeyFSDVCBDDRPLDOH-UHFFFAOYSA-N
XLogP3.08
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
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 6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione (CID 1101818) is 6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione is COc1ccccc1N1C(=O)c2cccc3c(N(C)CCO)ccc(c23)C1=O.
What is the InChIKey of 6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is FSDVCBDDRPLDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-23(12-13-25)17-11-10-16-20-14(17)6-5-7-15(20)21(26)24(22(16)27)18-8-3-4-9-19(18)28-2/h3-11,25H,12-13H2,1-2H3.
What are the key properties of 6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione?
6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 376.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(methyl)amino]-2-(2-methoxyphenyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 1101818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).