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

C24H19N3O2S — CID 989841

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C24H19N3O2S/c28-22(26-15-14-17-8-4-7-13-21(17)26)16-30-24-25-20-12-6-5-11-19(20)23(29)27(24)18-9-2-1-3-10-18/h1-13H,14-16H2
InChIKeyYUNRRGHLSPEFBW-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.07
Rot. Bonds4

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

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one (PubChem CID 989841) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
PubChem CID989841
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C24H19N3O2S/c28-22(26-15-14-17-8-4-7-13-21(17)26)16-30-24-25-20-12-6-5-11-19(20)23(29)27(24)18-9-2-1-3-10-18/h1-13H,14-16H2
InChIKeyYUNRRGHLSPEFBW-UHFFFAOYSA-N
XLogP4.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-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 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one (CID 989841) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one is O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one?
The InChIKey is YUNRRGHLSPEFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c28-22(26-15-14-17-8-4-7-13-21(17)26)16-30-24-25-20-12-6-5-11-19(20)23(29)27(24)18-9-2-1-3-10-18/h1-13H,14-16H2.
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one has a molecular weight of 413.50 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 989841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).