[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone

C24H25N3O3S — CID 31429653

IUPAC[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C24H25N3O3S/c28-24(27-13-11-26(12-14-27)19-10-15-31(29,30)17-19)21-16-23(18-6-2-1-3-7-18)25-22-9-5-4-8-20(21)22/h1-9,16,19H,10-15,17H2/t19-/m1/s1
InChIKeyCOIUMTTXRYLDOK-LJQANCHMSA-N
MW435.55 g/mol
LogP2.85
Rot. Bonds3

About [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone

[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone (PubChem CID 31429653) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone
PubChem CID31429653
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone
SMILESO=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C24H25N3O3S/c28-24(27-13-11-26(12-14-27)19-10-15-31(29,30)17-19)21-16-23(18-6-2-1-3-7-18)25-22-9-5-4-8-20(21)22/h1-9,16,19H,10-15,17H2/t19-/m1/s1
InChIKeyCOIUMTTXRYLDOK-LJQANCHMSA-N
XLogP2.85
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone with MolForge

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Related Compounds

[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 31429655
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 26004820
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55501194
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 31909611
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
N-cyclohexyl-4-(2-phenylquinoline-4-carbonyl)piperazine-1-carboxamide
CID 44758914
[1-[(3S)-1,1-dioxothiolan-3-yl]-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 27461724
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
[2-(4-phenylphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2382262

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone?
The IUPAC name of [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone (CID 31429653) is [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone.
What is the SMILES notation for [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone?
The canonical SMILES for [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone is O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone?
The InChIKey is COIUMTTXRYLDOK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-24(27-13-11-26(12-14-27)19-10-15-31(29,30)17-19)21-16-23(18-6-2-1-3-7-18)25-22-9-5-4-8-20(21)22/h1-9,16,19H,10-15,17H2/t19-/m1/s1.
What are the key properties of [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone?
[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone has a molecular weight of 435.55 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-(2-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 31429653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).