4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one

C24H22ClN5O3 — CID 55791321

IUPAC4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21
InChIInChI=1S/C24H22ClN5O3/c1-28-20-5-3-2-4-18(20)19(14-22(28)31)24(32)30-12-10-29(11-13-30)15-21-26-23(27-33-21)16-6-8-17(25)9-7-16/h2-9,14H,10-13,15H2,1H3
InChIKeySSZQWWWOZIPMPU-UHFFFAOYSA-N
MW463.93 g/mol
LogP3.20
Rot. Bonds4

About 4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one

4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one (PubChem CID 55791321) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is 4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
PubChem CID55791321
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC Name4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
SMILESCn1c(=O)cc(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21
InChIInChI=1S/C24H22ClN5O3/c1-28-20-5-3-2-4-18(20)19(14-22(28)31)24(32)30-12-10-29(11-13-30)15-21-26-23(27-33-21)16-6-8-17(25)9-7-16/h2-9,14H,10-13,15H2,1H3
InChIKeySSZQWWWOZIPMPU-UHFFFAOYSA-N
XLogP3.20
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one with MolForge

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Related Compounds

[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
CID 39586117
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 47881666
1-methyl-4-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazine-1-carbonyl]quinolin-2-one
CID 55829532
1-[3-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]cinnolin-4-one
CID 134051852
1-[3-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-oxopropyl]quinazoline-2,4-dione
CID 37085670
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 37083852
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 39586467
(2,5-difluorophenyl)-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 25492765
4-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-2H-phthalazin-1-one
CID 24611509
(2,5-dimethylfuran-3-yl)-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 37250280
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[3-(methylsulfonylmethyl)phenyl]methanone
CID 134051775
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-3-methylbutan-1-one
CID 39585952

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one?
The IUPAC name of 4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one (CID 55791321) is 4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one is Cn1c(=O)cc(C(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c2ccccc21.
What is the InChIKey of 4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one?
The InChIKey is SSZQWWWOZIPMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-28-20-5-3-2-4-18(20)19(14-22(28)31)24(32)30-12-10-29(11-13-30)15-21-26-23(27-33-21)16-6-8-17(25)9-7-16/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one?
4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one has a molecular weight of 463.93 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one is sourced from PubChem (CID 55791321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).