[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone

C26H24ClN5O2 — CID 39586117

IUPAC[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
SMILESO=C(c1cc(C2CC2)nc2ccccc12)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C26H24ClN5O2/c27-19-9-7-18(8-10-19)25-29-24(34-30-25)16-31-11-13-32(14-12-31)26(33)21-15-23(17-5-6-17)28-22-4-2-1-3-20(21)22/h1-4,7-10,15,17H,5-6,11-14,16H2
InChIKeyABMSPETWWOBXMI-UHFFFAOYSA-N
MW473.96 g/mol
LogP4.77
Rot. Bonds5

About [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone

[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone (PubChem CID 39586117) has the molecular formula C26H24ClN5O2 and a molecular weight of 473.96 g/mol. Its IUPAC name is [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
PubChem CID39586117
Molecular FormulaC26H24ClN5O2
Molecular Weight473.96 g/mol
Exact Mass473.16
IUPAC Name[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone
SMILESO=C(c1cc(C2CC2)nc2ccccc12)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1
InChIInChI=1S/C26H24ClN5O2/c27-19-9-7-18(8-10-19)25-29-24(34-30-25)16-31-11-13-32(14-12-31)26(33)21-15-23(17-5-6-17)28-22-4-2-1-3-20(21)22/h1-4,7-10,15,17H,5-6,11-14,16H2
InChIKeyABMSPETWWOBXMI-UHFFFAOYSA-N
XLogP4.77
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55791321
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 47881666
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-phenylpyrazolidin-3-yl)methanone
CID 134051851
(2-cyclopropylquinolin-4-yl)-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]methanone
CID 17473888
1-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 55502619
[(2S)-1-benzylpyrrolidin-2-yl]-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 95349433
(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]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 37083852
(1-aminocyclopropyl)-[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119839913
[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

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone?
The IUPAC name of [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone (CID 39586117) is [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone.
What is the SMILES notation for [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone?
The canonical SMILES for [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone is O=C(c1cc(C2CC2)nc2ccccc12)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1.
What is the InChIKey of [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone?
The InChIKey is ABMSPETWWOBXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN5O2/c27-19-9-7-18(8-10-19)25-29-24(34-30-25)16-31-11-13-32(14-12-31)26(33)21-15-23(17-5-6-17)28-22-4-2-1-3-20(21)22/h1-4,7-10,15,17H,5-6,11-14,16H2.
What are the key properties of [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone?
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone has a molecular weight of 473.96 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(2-cyclopropylquinolin-4-yl)methanone is sourced from PubChem (CID 39586117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).