piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone

C20H20N4OS — CID 129042953

IUPACpiperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
SMILESO=C(c1ccc(NSc2cccc3cccnc23)cc1)N1CCNCC1
InChIInChI=1S/C20H20N4OS/c25-20(24-13-11-21-12-14-24)16-6-8-17(9-7-16)23-26-18-5-1-3-15-4-2-10-22-19(15)18/h1-10,21,23H,11-14H2
InChIKeyQJJNTCOQBBKQLA-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.40
Rot. Bonds4

About piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone

piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone (PubChem CID 129042953) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
PubChem CID129042953
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Namepiperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
SMILESO=C(c1ccc(NSc2cccc3cccnc23)cc1)N1CCNCC1
InChIInChI=1S/C20H20N4OS/c25-20(24-13-11-21-12-14-24)16-6-8-17(9-7-16)23-26-18-5-1-3-15-4-2-10-22-19(15)18/h1-10,21,23H,11-14H2
InChIKeyQJJNTCOQBBKQLA-UHFFFAOYSA-N
XLogP3.40
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(pyridine-4-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 134545155
(4-cyclopropyl-4-hydroxypiperidin-1-yl)-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 146582794
[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 146582870
[4-(3,3-difluoropropyl)-4-hydroxypiperidin-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 146582732
[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 129042737
[4-[(2,2-difluorocyclopropyl)methyl]-4-hydroxypiperidin-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 146582572
[4-(3,4-difluorobenzoyl)piperazin-1-yl]-[3-fluoro-4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 129042836
1-prop-2-enyl-3-[1-[4-(quinolin-8-ylsulfanylamino)benzoyl]azetidin-3-yl]urea
CID 123360943
[4-[(2-tert-butylsulfanylphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 146321595
[4-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 134545226
[4-[(5-chloro-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 146321630
(3,4-difluorophenyl)-[4-[2-methoxy-4-(quinolin-8-ylsulfanylamino)benzoyl]piperazin-1-yl]methanone
CID 129042741

Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone?
The IUPAC name of piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone (CID 129042953) is piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone.
What is the SMILES notation for piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone?
The canonical SMILES for piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone is O=C(c1ccc(NSc2cccc3cccnc23)cc1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone?
The InChIKey is QJJNTCOQBBKQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c25-20(24-13-11-21-12-14-24)16-6-8-17(9-7-16)23-26-18-5-1-3-15-4-2-10-22-19(15)18/h1-10,21,23H,11-14H2.
What are the key properties of piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone?
piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone has a molecular weight of 364.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone is sourced from PubChem (CID 129042953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).