3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one

C27H25N3O2 — CID 8849754

IUPAC3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one
SMILESO=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N1CCc2ccccc21
InChIInChI=1S/C27H25N3O2/c31-26(29-19-17-21-10-4-6-12-24(21)29)15-14-23-27(32)30(18-16-20-8-2-1-3-9-20)25-13-7-5-11-22(25)28-23/h1-13H,14-19H2
InChIKeyTUKZJLFDRZBCMO-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.16
Rot. Bonds6

About 3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one

3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one (PubChem CID 8849754) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one
PubChem CID8849754
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one
SMILESO=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N1CCc2ccccc21
InChIInChI=1S/C27H25N3O2/c31-26(29-19-17-21-10-4-6-12-24(21)29)15-14-23-27(32)30(18-16-20-8-2-1-3-9-20)25-13-7-5-11-22(25)28-23/h1-13H,14-19H2
InChIKeyTUKZJLFDRZBCMO-UHFFFAOYSA-N
XLogP4.16
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one?
The IUPAC name of 3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one (CID 8849754) is 3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one.
What is the SMILES notation for 3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one?
The canonical SMILES for 3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one is O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)N1CCc2ccccc21.
What is the InChIKey of 3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one?
The InChIKey is TUKZJLFDRZBCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c31-26(29-19-17-21-10-4-6-12-24(21)29)15-14-23-27(32)30(18-16-20-8-2-1-3-9-20)25-13-7-5-11-22(25)28-23/h1-13H,14-19H2.
What are the key properties of 3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one?
3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one has a molecular weight of 423.52 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-1-(2-phenylethyl)quinoxalin-2-one is sourced from PubChem (CID 8849754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).