3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one

C17H12N4O2 — CID 2714437

IUPAC3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
SMILESO=C(Cn1nnc2ccccc2c1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H12N4O2/c22-16(13-9-18-14-7-3-1-5-11(13)14)10-21-17(23)12-6-2-4-8-15(12)19-20-21/h1-9,18H,10H2
InChIKeyUUAQXKADCUAUHG-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.16
Rot. Bonds3

About 3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one

3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one (PubChem CID 2714437) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
PubChem CID2714437
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
SMILESO=C(Cn1nnc2ccccc2c1=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H12N4O2/c22-16(13-9-18-14-7-3-1-5-11(13)14)10-21-17(23)12-6-2-4-8-15(12)19-20-21/h1-9,18H,10H2
InChIKeyUUAQXKADCUAUHG-UHFFFAOYSA-N
XLogP2.16
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one
CID 7529241
3-[2-(4-chlorophenyl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714491
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55433688
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
N'-[2-(1H-indol-3-yl)acetyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanehydrazide
CID 39430911
3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one
CID 9010695
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
3-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714550
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one
CID 14192560
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 30896765

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one (CID 2714437) is 3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one is O=C(Cn1nnc2ccccc2c1=O)c1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one?
The InChIKey is UUAQXKADCUAUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-16(13-9-18-14-7-3-1-5-11(13)14)10-21-17(23)12-6-2-4-8-15(12)19-20-21/h1-9,18H,10H2.
What are the key properties of 3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one?
3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one has a molecular weight of 304.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 2714437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).