5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one

C18H14N2O4 — CID 166402335

IUPAC5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cccc(OCC(=O)c3c[nH]c4ccccc34)c2N1
InChIInChI=1S/C18H14N2O4/c21-14(12-8-19-13-5-2-1-4-11(12)13)9-23-15-6-3-7-16-18(15)20-17(22)10-24-16/h1-8,19H,9-10H2,(H,20,22)
InChIKeySYRHZDRKAIVWNG-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.76
Rot. Bonds4

About 5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one

5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one (PubChem CID 166402335) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is 5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one
PubChem CID166402335
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2cccc(OCC(=O)c3c[nH]c4ccccc34)c2N1
InChIInChI=1S/C18H14N2O4/c21-14(12-8-19-13-5-2-1-4-11(12)13)9-23-15-6-3-7-16-18(15)20-17(22)10-24-16/h1-8,19H,9-10H2,(H,20,22)
InChIKeySYRHZDRKAIVWNG-UHFFFAOYSA-N
XLogP2.76
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxymethyl]prop-2-enoic acid
CID 166364767
2-(1,3-benzodioxol-5-yloxy)-1-(1H-indol-3-yl)ethanone
CID 2989682
1-(1H-indol-3-yl)-2-(4-phenyldiazenylphenoxy)ethanone
CID 3534156
6-amino-4H-1,4-benzoxazin-3-one;1H-indole-3-carboxylic acid
CID 159959810
[2-(1H-indol-3-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 7253090
1-(1H-indol-3-yl)-2-piperidin-1-ium-1-ylethanone
CID 6938363
2,2-dimethyl-5-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxy]pentanenitrile
CID 75483091
5-[(2-methyl-1,3-thiazol-5-yl)methoxy]-4H-1,4-benzoxazin-3-one
CID 84595830
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
[2-(1H-indol-3-yl)-2-oxoethyl] 2-methoxyacetate
CID 7775914
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one (CID 166402335) is 5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one is O=C1COc2cccc(OCC(=O)c3c[nH]c4ccccc34)c2N1.
What is the InChIKey of 5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one?
The InChIKey is SYRHZDRKAIVWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-14(12-8-19-13-5-2-1-4-11(12)13)9-23-15-6-3-7-16-18(15)20-17(22)10-24-16/h1-8,19H,9-10H2,(H,20,22).
What are the key properties of 5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one?
5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one has a molecular weight of 322.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-indol-3-yl)-2-oxoethoxy]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 166402335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).