(4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone

C22H23N5O3S — CID 62705152

IUPAC(4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2ccc3ncccc3c2)C1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C22H23N5O3S/c28-22(26-12-10-25(11-13-26)19-5-8-23-9-6-19)18-15-27(16-18)31(29,30)20-3-4-21-17(14-20)2-1-7-24-21/h1-9,14,18H,10-13,15-16H2
InChIKeyYVPNQGPBJDONTM-UHFFFAOYSA-N
MW437.53 g/mol
LogP1.60
Rot. Bonds4

About (4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone

(4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone (PubChem CID 62705152) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is (4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone.

Molecular Properties

Compound Name(4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone
PubChem CID62705152
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name(4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone
SMILESO=C(C1CN(S(=O)(=O)c2ccc3ncccc3c2)C1)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C22H23N5O3S/c28-22(26-12-10-25(11-13-26)19-5-8-23-9-6-19)18-15-27(16-18)31(29,30)20-3-4-21-17(14-20)2-1-7-24-21/h1-9,14,18H,10-13,15-16H2
InChIKeyYVPNQGPBJDONTM-UHFFFAOYSA-N
XLogP1.60
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-Fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
CID 5308986
N-{4-[4-(2-Methyl-quinolin-4-yl)-piperazine-1-sulfonyl]-phenyl}-acetamide
CID 651482
N-(Cyclohexylmethyl)-N-(3-(4-phenylpiperazin-1-yl)propyl)quinoline-8-sulfonamide
CID 46232654
1-(4-(piperazin-1-ylsulfonyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 49780596
[1-(5-Isoquinolinylsulfonyl)-3-azetidinyl][4-(4-pyridinyl)-1-piperazinyl]-methanone
CID 62705488
[1-(1-Chloroisoquinolin-5-yl)sulfonylazetidin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 62705656
[4-(2-Chloro-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone
CID 62705660
[4-(2,6-Dimethyl-4-pyridinyl)piperazin-1-yl]-(1-isoquinolin-5-ylsulfonylazetidin-3-yl)methanone
CID 62705661
(1-Isoquinolin-5-ylsulfonylazetidin-3-yl)-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 62705830
(1-Isoquinolin-5-ylsulfonylazetidin-3-yl)-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 62705831
[Hexahydro-5-(4-pyridinyl)pyrrolo[3,4-c]pyrrol-2(1H)-yl][1-(5-isoquinolinylsulfonyl)-3-azetidinyl]-methanone
CID 62705832
3-[8-(4-Methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]benzenesulfonamide
CID 145961154

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone?
The IUPAC name of (4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone (CID 62705152) is (4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone.
What is the SMILES notation for (4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone?
The canonical SMILES for (4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone is O=C(C1CN(S(=O)(=O)c2ccc3ncccc3c2)C1)N1CCN(c2ccncc2)CC1.
What is the InChIKey of (4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone?
The InChIKey is YVPNQGPBJDONTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c28-22(26-12-10-25(11-13-26)19-5-8-23-9-6-19)18-15-27(16-18)31(29,30)20-3-4-21-17(14-20)2-1-7-24-21/h1-9,14,18H,10-13,15-16H2.
What are the key properties of (4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone?
(4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone has a molecular weight of 437.53 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-4-ylpiperazin-1-yl)-(1-quinolin-6-ylsulfonylazetidin-3-yl)methanone is sourced from PubChem (CID 62705152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).