1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one

C24H23N3O4S — CID 3680527

IUPAC1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
SMILESO=C1OC2Cc3ccccc3C2N1C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C24H23N3O4S/c28-24-27(23-19-8-2-1-5-17(19)15-20(23)31-24)18-10-13-26(14-11-18)32(29,30)21-9-3-6-16-7-4-12-25-22(16)21/h1-9,12,18,20,23H,10-11,13-15H2
InChIKeyBGMJLAYQFIXBKP-UHFFFAOYSA-N
MW449.53 g/mol
LogP3.51
Rot. Bonds3

About 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one

1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one (PubChem CID 3680527) has the molecular formula C24H23N3O4S and a molecular weight of 449.53 g/mol. Its IUPAC name is 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
PubChem CID3680527
Molecular FormulaC24H23N3O4S
Molecular Weight449.53 g/mol
Exact Mass449.14
IUPAC Name1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
SMILESO=C1OC2Cc3ccccc3C2N1C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
InChIInChI=1S/C24H23N3O4S/c28-24-27(23-19-8-2-1-5-17(19)15-20(23)31-24)18-10-13-26(14-11-18)32(29,30)21-9-3-6-16-7-4-12-25-22(16)21/h1-9,12,18,20,23H,10-11,13-15H2
InChIKeyBGMJLAYQFIXBKP-UHFFFAOYSA-N
XLogP3.51
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 3776031
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 3826075
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
N-[4-methyl-5-[4-(2-oxo-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-1-yl)piperidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 3676579
8-piperidin-1-ylsulfonylquinoline
CID 768759
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398
3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 24731346
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)ethanamine
CID 119974617
7-(2-fluorophenyl)-4-quinolin-8-ylsulfonyl-1,4-thiazepane 1,1-dioxide
CID 121192622
8-[(4-cyclobutyl-1,4-diazepan-1-yl)sulfonyl]quinoline
CID 131703897

Frequently Asked Questions

What is the IUPAC name of 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
The IUPAC name of 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one (CID 3680527) is 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one.
What is the SMILES notation for 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
The canonical SMILES for 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one is O=C1OC2Cc3ccccc3C2N1C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1.
What is the InChIKey of 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
The InChIKey is BGMJLAYQFIXBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S/c28-24-27(23-19-8-2-1-5-17(19)15-20(23)31-24)18-10-13-26(14-11-18)32(29,30)21-9-3-6-16-7-4-12-25-22(16)21/h1-9,12,18,20,23H,10-11,13-15H2.
What are the key properties of 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one?
1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one has a molecular weight of 449.53 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one is sourced from PubChem (CID 3680527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).