morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone

C23H25N5O4S — CID 55638328

IUPACmorpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone
SMILESO=C(c1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C23H25N5O4S/c29-23(27-12-14-32-15-13-27)20-16-22(25-21-6-2-1-5-19(20)21)26-8-10-28(11-9-26)33(30,31)18-4-3-7-24-17-18/h1-7,16-17H,8-15H2
InChIKeyZKQPTYSPVOJTRT-UHFFFAOYSA-N
MW467.55 g/mol
LogP1.61
Rot. Bonds4

About morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone

morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone (PubChem CID 55638328) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone
PubChem CID55638328
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC Namemorpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone
SMILESO=C(c1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc2ccccc12)N1CCOCC1
InChIInChI=1S/C23H25N5O4S/c29-23(27-12-14-32-15-13-27)20-16-22(25-21-6-2-1-5-19(20)21)26-8-10-28(11-9-26)33(30,31)18-4-3-7-24-17-18/h1-7,16-17H,8-15H2
InChIKeyZKQPTYSPVOJTRT-UHFFFAOYSA-N
XLogP1.61
TPSA95.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-fluorophenyl)quinolin-4-yl]-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 55614291
2-[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55448995
4-[4-methyl-6-(4-pyridin-3-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 50945868
[4-(3-chlorophenyl)piperazin-1-yl]-(2-morpholin-4-ylquinolin-4-yl)methanone
CID 6616505
1-phenyl-4-pyridin-3-ylsulfonylpiperazine
CID 23762699
2-morpholin-4-yl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone
CID 55824192
sodium;hydride;hydron;4-pyridin-3-ylsulfonylmorpholine
CID 174965735
4-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinoline-2-carbonitrile
CID 133310521
[(2R)-1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 2-pyridin-3-ylquinoline-4-carboxylate
CID 98393913
4-[[4-[4-(morpholine-4-carbonyl)quinolin-2-yl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 55470649
morpholin-4-yl-[2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]quinolin-4-yl]methanone
CID 55447395
N-(3-morpholin-4-ylsulfonylphenyl)-4-pyridin-3-ylsulfonylpiperazine-1-carboxamide
CID 55697164

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone?
The IUPAC name of morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone (CID 55638328) is morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone?
The canonical SMILES for morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone is O=C(c1cc(N2CCN(S(=O)(=O)c3cccnc3)CC2)nc2ccccc12)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone?
The InChIKey is ZKQPTYSPVOJTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c29-23(27-12-14-32-15-13-27)20-16-22(25-21-6-2-1-5-19(20)21)26-8-10-28(11-9-26)33(30,31)18-4-3-7-24-17-18/h1-7,16-17H,8-15H2.
What are the key properties of morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone?
morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone has a molecular weight of 467.55 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)quinolin-4-yl]methanone is sourced from PubChem (CID 55638328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).