3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one

C23H25N3O3 — CID 5329372

IUPAC3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCOCCN(C)CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C23H25N3O3/c1-26(9-11-28-2)10-12-29-18-7-8-21-17(13-18)15-22(24-21)19-14-16-5-3-4-6-20(16)25-23(19)27/h3-8,13-15,24H,9-12H2,1-2H3,(H,25,27)
InChIKeyIVKQYQMLUAZKPB-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.63
Rot. Bonds8

About 3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one

3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 5329372) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID5329372
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCOCCN(C)CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1
InChIInChI=1S/C23H25N3O3/c1-26(9-11-28-2)10-12-29-18-7-8-21-17(13-18)15-22(24-21)19-14-16-5-3-4-6-20(16)25-23(19)27/h3-8,13-15,24H,9-12H2,1-2H3,(H,25,27)
InChIKeyIVKQYQMLUAZKPB-UHFFFAOYSA-N
XLogP3.63
TPSA70.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one (CID 5329372) is 3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one is COCCN(C)CCOc1ccc2[nH]c(-c3cc4ccccc4[nH]c3=O)cc2c1.
What is the InChIKey of 3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is IVKQYQMLUAZKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-26(9-11-28-2)10-12-29-18-7-8-21-17(13-18)15-22(24-21)19-14-16-5-3-4-6-20(16)25-23(19)27/h3-8,13-15,24H,9-12H2,1-2H3,(H,25,27).
What are the key properties of 3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 391.47 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[2-methoxyethyl(methyl)amino]ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 5329372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).