3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one

C23H16N4O2 — CID 7529241

IUPAC3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one
SMILESO=C(Cn1nnc2ccccc2c1=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H16N4O2/c28-20(14-27-23(29)17-11-5-7-13-19(17)25-26-27)21-16-10-4-6-12-18(16)24-22(21)15-8-2-1-3-9-15/h1-13,24H,14H2
InChIKeyPQEIMGBJXNOBQL-UHFFFAOYSA-N
MW380.41 g/mol
LogP3.82
Rot. Bonds4

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

3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one (PubChem CID 7529241) has the molecular formula C23H16N4O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one
PubChem CID7529241
Molecular FormulaC23H16N4O2
Molecular Weight380.41 g/mol
Exact Mass380.13
IUPAC Name3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one
SMILESO=C(Cn1nnc2ccccc2c1=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H16N4O2/c28-20(14-27-23(29)17-11-5-7-13-19(17)25-26-27)21-16-10-4-6-12-18(16)24-22(21)15-8-2-1-3-9-15/h1-13,24H,14H2
InChIKeyPQEIMGBJXNOBQL-UHFFFAOYSA-N
XLogP3.82
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714437
1-(2-phenyl-1H-indol-3-yl)-2-(5-phenyltetrazol-2-yl)ethanone
CID 7277959
3-[2-oxo-2-(2,3,4,6-tetramethylphenyl)ethyl]-1,2,3-benzotriazin-4-one
CID 9010695
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
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 42984126
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 2714528
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-1-(2-phenyl-1H-indol-3-yl)ethanone
CID 30741257
N-ethyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714444
3-(2,4-dioxo-1H-quinazolin-3-yl)propyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
CID 56528209
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 30896765
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one?
The IUPAC name of 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one (CID 7529241) is 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one.
What is the SMILES notation for 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one?
The canonical SMILES for 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one is O=C(Cn1nnc2ccccc2c1=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one?
The InChIKey is PQEIMGBJXNOBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O2/c28-20(14-27-23(29)17-11-5-7-13-19(17)25-26-27)21-16-10-4-6-12-18(16)24-22(21)15-8-2-1-3-9-15/h1-13,24H,14H2.
What are the key properties of 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one?
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one has a molecular weight of 380.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-1,2,3-benzotriazin-4-one is sourced from PubChem (CID 7529241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).