(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate

C20H17N3O4 — CID 8525556

IUPAC(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2c(CC(=O)OCn3nnc4ccccc4c3=O)coc2c1
InChIInChI=1S/C20H17N3O4/c1-2-13-7-8-15-14(11-26-18(15)9-13)10-19(24)27-12-23-20(25)16-5-3-4-6-17(16)21-22-23/h3-9,11H,2,10,12H2,1H3
InChIKeySMIFTKHMHHARDT-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.84
Rot. Bonds5

About (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate (PubChem CID 8525556) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate
PubChem CID8525556
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate
SMILESCCc1ccc2c(CC(=O)OCn3nnc4ccccc4c3=O)coc2c1
InChIInChI=1S/C20H17N3O4/c1-2-13-7-8-15-14(11-26-18(15)9-13)10-19(24)27-12-23-20(25)16-5-3-4-6-17(16)21-22-23/h3-9,11H,2,10,12H2,1H3
InChIKeySMIFTKHMHHARDT-UHFFFAOYSA-N
XLogP2.84
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(7-ethyl-2-oxochromen-4-yl)methyl]-1,2,3-benzotriazin-4-one
CID 9010709
(4-oxo-1,2,3-benzotriazin-3-yl)methyl propanoate
CID 4524672
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate
CID 8536451
(4-oxo-1,2,3-benzotriazin-3-yl)methyl pentanoate
CID 23770829
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 8983109
(2-cyanophenyl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8846086
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 18776069
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methylbenzoate
CID 694208
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525382
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8846113
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[2-(methanesulfonamido)ethyl]benzoate
CID 166435569
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-chloroquinoline-4-carboxylate
CID 9009940

Frequently Asked Questions

What is the IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The IUPAC name of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate (CID 8525556) is (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate.
What is the SMILES notation for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The canonical SMILES for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate is CCc1ccc2c(CC(=O)OCn3nnc4ccccc4c3=O)coc2c1.
What is the InChIKey of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate?
The InChIKey is SMIFTKHMHHARDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-2-13-7-8-15-14(11-26-18(15)9-13)10-19(24)27-12-23-20(25)16-5-3-4-6-17(16)21-22-23/h3-9,11H,2,10,12H2,1H3.
What are the key properties of (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate?
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate has a molecular weight of 363.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 8525556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).