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

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Related Compounds

2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
N-(2,3-dihydro-1H-inden-5-yl)-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide
CID 2557019
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
3-Methyl-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020007
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009
12H-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 230754
4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-
CID 63761
4(3H)-Quinazolinone, 2-methylthio-3-phenyl-
CID 64035
2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 680931
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776
2-[3-(Cyclopentylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile
CID 1815492

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).