4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one

C18H16N2O3 — CID 651952

IUPAC4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C18H16N2O3/c21-17(19-10-9-13-5-1-2-6-14(13)19)11-20-15-7-3-4-8-16(15)23-12-18(20)22/h1-8H,9-12H2
InChIKeyPSQWODCPTPEOOA-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.00
Rot. Bonds2

About 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one

4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one (PubChem CID 651952) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
PubChem CID651952
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one
SMILESO=C(CN1C(=O)COc2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C18H16N2O3/c21-17(19-10-9-13-5-1-2-6-14(13)19)11-20-15-7-3-4-8-16(15)23-12-18(20)22/h1-8H,9-12H2
InChIKeyPSQWODCPTPEOOA-UHFFFAOYSA-N
XLogP2.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one (CID 651952) is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The canonical SMILES for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one is O=C(CN1C(=O)COc2ccccc21)N1CCc2ccccc21.
What is the InChIKey of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one?
The InChIKey is PSQWODCPTPEOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17(19-10-9-13-5-1-2-6-14(13)19)11-20-15-7-3-4-8-16(15)23-12-18(20)22/h1-8H,9-12H2.
What are the key properties of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one?
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one has a molecular weight of 308.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-benzoxazin-3-one is sourced from PubChem (CID 651952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).