2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide

C23H25N5O5 — CID 121238954

IUPAC2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide
SMILESCOCCn1nnc2ccc(NC(=O)COc3cccc4c3ccn4CCOC)cc2c1=O
InChIInChI=1S/C23H25N5O5/c1-31-12-10-27-9-8-17-20(27)4-3-5-21(17)33-15-22(29)24-16-6-7-19-18(14-16)23(30)28(26-25-19)11-13-32-2/h3-9,14H,10-13,15H2,1-2H3,(H,24,29)
InChIKeyXIEJABOTWYEVFT-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.06
Rot. Bonds10

About 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide

2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide (PubChem CID 121238954) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide
PubChem CID121238954
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC Name2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide
SMILESCOCCn1nnc2ccc(NC(=O)COc3cccc4c3ccn4CCOC)cc2c1=O
InChIInChI=1S/C23H25N5O5/c1-31-12-10-27-9-8-17-20(27)4-3-5-21(17)33-15-22(29)24-16-6-7-19-18(14-16)23(30)28(26-25-19)11-13-32-2/h3-9,14H,10-13,15H2,1-2H3,(H,24,29)
InChIKeyXIEJABOTWYEVFT-UHFFFAOYSA-N
XLogP2.06
TPSA109.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[1-(3-methylbutyl)indol-5-yl]acetamide
CID 121240182
N-[1-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239523
N-(3,4-dimethoxyphenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293315
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 121240404
N-(3-acetamidophenyl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293322
N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-methyl-2-pyrrol-1-ylpentanamide
CID 121239830
N-cyclooctyl-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 121239263
N-(1,3-benzodioxol-5-yl)-2-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]oxyacetamide
CID 7293316
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[2-(4-oxoquinazolin-3-yl)ethyl]acetamide
CID 121239049
N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 127254353
N-(6-chloro-3-pyridinyl)-2-(1-methylindol-4-yl)oxyacetamide
CID 91822344
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[1-(2-methoxyethyl)indol-4-yl]oxyacetamide
CID 125123918

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide?
The IUPAC name of 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide (CID 121238954) is 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide.
What is the SMILES notation for 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide?
The canonical SMILES for 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide is COCCn1nnc2ccc(NC(=O)COc3cccc4c3ccn4CCOC)cc2c1=O.
What is the InChIKey of 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide?
The InChIKey is XIEJABOTWYEVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c1-31-12-10-27-9-8-17-20(27)4-3-5-21(17)33-15-22(29)24-16-6-7-19-18(14-16)23(30)28(26-25-19)11-13-32-2/h3-9,14H,10-13,15H2,1-2H3,(H,24,29).
What are the key properties of 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide?
2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide has a molecular weight of 451.48 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)indol-4-yl]oxy-N-[3-(2-methoxyethyl)-4-oxo-1,2,3-benzotriazin-6-yl]acetamide is sourced from PubChem (CID 121238954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).