1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one

C19H14F3N3O2 — CID 6622469

IUPAC1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one
SMILESO=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)17-18(27)25(15-8-4-2-6-13(15)23-17)11-16(26)24-10-9-12-5-1-3-7-14(12)24/h1-8H,9-11H2
InChIKeyQNSQOFHAUFGZRF-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.00
Rot. Bonds2

About 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one

1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one (PubChem CID 6622469) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one
PubChem CID6622469
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one
SMILESO=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)17-18(27)25(15-8-4-2-6-13(15)23-17)11-16(26)24-10-9-12-5-1-3-7-14(12)24/h1-8H,9-11H2
InChIKeyQNSQOFHAUFGZRF-UHFFFAOYSA-N
XLogP3.00
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one?
The IUPAC name of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one (CID 6622469) is 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one.
What is the SMILES notation for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one?
The canonical SMILES for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one is O=C(Cn1c(=O)c(C(F)(F)F)nc2ccccc21)N1CCc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one?
The InChIKey is QNSQOFHAUFGZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)17-18(27)25(15-8-4-2-6-13(15)23-17)11-16(26)24-10-9-12-5-1-3-7-14(12)24/h1-8H,9-11H2.
What are the key properties of 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one?
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one has a molecular weight of 373.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-(trifluoromethyl)quinoxalin-2-one is sourced from PubChem (CID 6622469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).