N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide

C25H26FN5O4S — CID 166110373

IUPACN-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccnc5cc(F)ccc45)CC3)C2)cc1
InChIInChI=1S/C25H26FN5O4S/c1-17(32)28-20-3-5-21(6-4-20)36(34,35)31-15-18(16-31)25(33)30-12-10-29(11-13-30)24-8-9-27-23-14-19(26)2-7-22(23)24/h2-9,14,18H,10-13,15-16H2,1H3,(H,28,32)
InChIKeyYHSTZVCGRNPJNR-UHFFFAOYSA-N
MW511.58 g/mol
LogP2.30
Rot. Bonds5

About N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide

N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 166110373) has the molecular formula C25H26FN5O4S and a molecular weight of 511.58 g/mol. Its IUPAC name is N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide
PubChem CID166110373
Molecular FormulaC25H26FN5O4S
Molecular Weight511.58 g/mol
Exact Mass511.17
IUPAC NameN-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccnc5cc(F)ccc45)CC3)C2)cc1
InChIInChI=1S/C25H26FN5O4S/c1-17(32)28-20-3-5-21(6-4-20)36(34,35)31-15-18(16-31)25(33)30-12-10-29(11-13-30)24-8-9-27-23-14-19(26)2-7-22(23)24/h2-9,14,18H,10-13,15-16H2,1H3,(H,28,32)
InChIKeyYHSTZVCGRNPJNR-UHFFFAOYSA-N
XLogP2.30
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.58
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide with MolForge

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Related Compounds

tert-butyl 3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidine-1-carboxylate
CID 166110568
[4-(7-fluoroquinolin-4-yl)piperazin-1-yl]-[1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanone
CID 166110374
tert-butyl (3S)-3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]piperidine-1-carboxylate;sulfane
CID 167584254
N-[4-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 41009001
N-[4-[(3S)-3-(thiomorpholine-4-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 40900598
[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91952359
azepan-1-yl-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]methanone
CID 91952386
N-[4-methyl-5-[3-(4-quinolin-4-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]sulfonyl-1,3-thiazol-2-yl]acetamide
CID 166110439
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide
CID 90593215
7-chloro-4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]quinoline
CID 2957990
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 16645607

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide (CID 166110373) is N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CC(C(=O)N3CCN(c4ccnc5cc(F)ccc45)CC3)C2)cc1.
What is the InChIKey of N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is YHSTZVCGRNPJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O4S/c1-17(32)28-20-3-5-21(6-4-20)36(34,35)31-15-18(16-31)25(33)30-12-10-29(11-13-30)24-8-9-27-23-14-19(26)2-7-22(23)24/h2-9,14,18H,10-13,15-16H2,1H3,(H,28,32).
What are the key properties of N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 511.58 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-(7-fluoroquinolin-4-yl)piperazine-1-carbonyl]azetidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 166110373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).