3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one

C24H27N3O2S — CID 11926055

IUPAC3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one
SMILESCC[C@@H](C)n1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc2ccccc2c1=O
InChIInChI=1S/C24H27N3O2S/c1-5-15(2)27-23(29)19-11-7-8-12-20(19)25-24(27)30-17(4)22(28)26-16(3)14-18-10-6-9-13-21(18)26/h6-13,15-17H,5,14H2,1-4H3/t15-,16+,17+/m1/s1
InChIKeyAATICKRECPZYOD-IKGGRYGDSA-N
MW421.57 g/mol
LogP4.83
Rot. Bonds5

About 3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one

3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one (PubChem CID 11926055) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one
PubChem CID11926055
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one
SMILESCC[C@@H](C)n1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc2ccccc2c1=O
InChIInChI=1S/C24H27N3O2S/c1-5-15(2)27-23(29)19-11-7-8-12-20(19)25-24(27)30-17(4)22(28)26-16(3)14-18-10-6-9-13-21(18)26/h6-13,15-17H,5,14H2,1-4H3/t15-,16+,17+/m1/s1
InChIKeyAATICKRECPZYOD-IKGGRYGDSA-N
XLogP4.83
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-(2-fluorophenyl)-2-[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 41449778
3-(furan-2-ylmethyl)-2-[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one
CID 40906231
2-[(2R)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one
CID 42155758
4-[2-[2-[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide
CID 98407988
(2R)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylpropanamide
CID 40681888
2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 4024181
(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-quinazolin-4-ylsulfanylpropan-1-one
CID 9324206
(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-quinolin-2-ylsulfanylpropan-1-one
CID 7754971
(2S)-2-(1-ethyltetrazol-5-yl)sulfanyl-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 40927691
2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 4815367
3-methyl-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 5040755
(2S)-2-(1-ethyltetrazol-5-yl)sulfanyl-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 40927689

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
The IUPAC name of 3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one (CID 11926055) is 3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one is CC[C@@H](C)n1c(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)nc2ccccc2c1=O.
What is the InChIKey of 3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
The InChIKey is AATICKRECPZYOD-IKGGRYGDSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-5-15(2)27-23(29)19-11-7-8-12-20(19)25-24(27)30-17(4)22(28)26-16(3)14-18-10-6-9-13-21(18)26/h6-13,15-17H,5,14H2,1-4H3/t15-,16+,17+/m1/s1.
What are the key properties of 3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one?
3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one has a molecular weight of 421.57 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-butan-2-yl]-2-[(2S)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]sulfanylquinazolin-4-one is sourced from PubChem (CID 11926055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).