2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate

C23H20N2O4 — CID 2122711

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1C
InChIInChI=1S/C23H20N2O4/c1-3-18-14(2)20(17-10-6-7-11-19(17)24-18)23(28)29-13-12-25-21(26)15-8-4-5-9-16(15)22(25)27/h4-11H,3,12-13H2,1-2H3
InChIKeyLXWFLONREZZWMR-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.56
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate

2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate (PubChem CID 2122711) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate
PubChem CID2122711
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate
SMILESCCc1nc2ccccc2c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1C
InChIInChI=1S/C23H20N2O4/c1-3-18-14(2)20(17-10-6-7-11-19(17)24-18)23(28)29-13-12-25-21(26)15-8-4-5-9-16(15)22(25)27/h4-11H,3,12-13H2,1-2H3
InChIKeyLXWFLONREZZWMR-UHFFFAOYSA-N
XLogP3.56
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.56
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-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate (CID 2122711) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate is CCc1nc2ccccc2c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1C.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate?
The InChIKey is LXWFLONREZZWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-3-18-14(2)20(17-10-6-7-11-19(17)24-18)23(28)29-13-12-25-21(26)15-8-4-5-9-16(15)22(25)27/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-ethyl-3-methylquinoline-4-carboxylate is sourced from PubChem (CID 2122711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).