3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one

C23H24N4O4S — CID 24526028

IUPAC3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H24N4O4S/c28-22(15-25-16-24-20-7-3-2-6-19(20)23(25)29)27-13-10-17-14-18(8-9-21(17)27)32(30,31)26-11-4-1-5-12-26/h2-3,6-9,14,16H,1,4-5,10-13,15H2
InChIKeyYFOQLXKIAIRAKT-UHFFFAOYSA-N
MW452.54 g/mol
LogP2.16
Rot. Bonds4

About 3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one

3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one (PubChem CID 24526028) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one
PubChem CID24526028
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one
SMILESO=C(Cn1cnc2ccccc2c1=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C23H24N4O4S/c28-22(15-25-16-24-20-7-3-2-6-19(20)23(25)29)27-13-10-17-14-18(8-9-21(17)27)32(30,31)26-11-4-1-5-12-26/h2-3,6-9,14,16H,1,4-5,10-13,15H2
InChIKeyYFOQLXKIAIRAKT-UHFFFAOYSA-N
XLogP2.16
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-oxoquinazolin-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 1259847
2-(1,3-benzoxazol-2-ylsulfanyl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 24525602
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 55845754
3-(4-oxoquinazolin-3-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 1291315
1-[2-oxo-2-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 24604285
2-(N-ethyl-3-fluoroanilino)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 55868878
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 55438375
(E)-3-phenyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 55438489
2-fluoro-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 167990347
2-(3-fluorophenoxy)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 18097851
1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 24526203

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one?
The IUPAC name of 3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one (CID 24526028) is 3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one?
The canonical SMILES for 3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one is O=C(Cn1cnc2ccccc2c1=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one?
The InChIKey is YFOQLXKIAIRAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c28-22(15-25-16-24-20-7-3-2-6-19(20)23(25)29)27-13-10-17-14-18(8-9-21(17)27)32(30,31)26-11-4-1-5-12-26/h2-3,6-9,14,16H,1,4-5,10-13,15H2.
What are the key properties of 3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one?
3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one has a molecular weight of 452.54 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethyl]quinazolin-4-one is sourced from PubChem (CID 24526028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).