3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one

C25H26N4O3 — CID 5329373

IUPAC3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCC(=O)N1CCN(CCOc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1
InChIInChI=1S/C25H26N4O3/c1-17(30)29-10-8-28(9-11-29)12-13-32-20-6-7-23-19(14-20)16-24(26-23)21-15-18-4-2-3-5-22(18)27-25(21)31/h2-7,14-16,26H,8-13H2,1H3,(H,27,31)
InChIKeyPNAKABLUPFQYPX-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.22
Rot. Bonds5

About 3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one

3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one (PubChem CID 5329373) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
PubChem CID5329373
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one
SMILESCC(=O)N1CCN(CCOc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1
InChIInChI=1S/C25H26N4O3/c1-17(30)29-10-8-28(9-11-29)12-13-32-20-6-7-23-19(14-20)16-24(26-23)21-15-18-4-2-3-5-22(18)27-25(21)31/h2-7,14-16,26H,8-13H2,1H3,(H,27,31)
InChIKeyPNAKABLUPFQYPX-UHFFFAOYSA-N
XLogP3.22
TPSA81.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one (CID 5329373) is 3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one is CC(=O)N1CCN(CCOc2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)CC1.
What is the InChIKey of 3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
The InChIKey is PNAKABLUPFQYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17(30)29-10-8-28(9-11-29)12-13-32-20-6-7-23-19(14-20)16-24(26-23)21-15-18-4-2-3-5-22(18)27-25(21)31/h2-7,14-16,26H,8-13H2,1H3,(H,27,31).
What are the key properties of 3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one?
3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one has a molecular weight of 430.51 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(4-acetylpiperazin-1-yl)ethoxy]-1H-indol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 5329373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).