4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one

C21H20N2O3 — CID 5307151

IUPAC4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one
SMILESCCn1c(=O)cc(OCC(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-2-22-18-10-6-4-8-16(18)19(13-20(22)24)26-14-21(25)23-12-11-15-7-3-5-9-17(15)23/h3-10,13H,2,11-12,14H2,1H3
InChIKeyVLHZGZWUUIFANR-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.99
Rot. Bonds4

About 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one

4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one (PubChem CID 5307151) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one.

Molecular Properties

Compound Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one
PubChem CID5307151
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one
SMILESCCn1c(=O)cc(OCC(=O)N2CCc3ccccc32)c2ccccc21
InChIInChI=1S/C21H20N2O3/c1-2-22-18-10-6-4-8-16(18)19(13-20(22)24)26-14-21(25)23-12-11-15-7-3-5-9-17(15)23/h3-10,13H,2,11-12,14H2,1H3
InChIKeyVLHZGZWUUIFANR-UHFFFAOYSA-N
XLogP2.99
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one?
The IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one (CID 5307151) is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one.
What is the SMILES notation for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one?
The canonical SMILES for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one is CCn1c(=O)cc(OCC(=O)N2CCc3ccccc32)c2ccccc21.
What is the InChIKey of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one?
The InChIKey is VLHZGZWUUIFANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-2-22-18-10-6-4-8-16(18)19(13-20(22)24)26-14-21(25)23-12-11-15-7-3-5-9-17(15)23/h3-10,13H,2,11-12,14H2,1H3.
What are the key properties of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one?
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one has a molecular weight of 348.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]-1-ethylquinolin-2-one is sourced from PubChem (CID 5307151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).