5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole

C22H21N5O — CID 50748686

IUPAC5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole
SMILESCc1nc(-c2cc3ccccc3nc2N2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C22H21N5O/c1-16-23-21(25-28-16)19-15-17-7-5-6-10-20(17)24-22(19)27-13-11-26(12-14-27)18-8-3-2-4-9-18/h2-10,15H,11-14H2,1H3
InChIKeyKRHZBKDPDUDZPG-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.92
Rot. Bonds3

About 5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole

5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole (PubChem CID 50748686) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole
PubChem CID50748686
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole
SMILESCc1nc(-c2cc3ccccc3nc2N2CCN(c3ccccc3)CC2)no1
InChIInChI=1S/C22H21N5O/c1-16-23-21(25-28-16)19-15-17-7-5-6-10-20(17)24-22(19)27-13-11-26(12-14-27)18-8-3-2-4-9-18/h2-10,15H,11-14H2,1H3
InChIKeyKRHZBKDPDUDZPG-UHFFFAOYSA-N
XLogP3.92
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperazin-1-yl]-2-(3-methylphenoxy)ethanone
CID 50748626
N-cyclopentyl-1-[6-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine
CID 129252293
5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 75384063
2-(5-methyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 66976761
N-(4-chlorophenyl)-1-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]methanimine
CID 139234635
5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole
CID 174413699
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
CID 110644990
5-methyl-3-(4-piperazin-1-ylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 69036653
N-[1-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 53041884
3-(2-iodophenyl)-5-methyl-1,2,4-oxadiazole
CID 131159700
N-cyclohexyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;N-cyclopentyl-1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine;1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine;trans-(1S,2S)-2-[[1-[7-fluoro-3-(5-methyl-1,2,4-oxadiazol-3-yl)quinolin-2-yl]piperidin-4-yl]amino]cyclohexan-1-ol
CID 158520822
N-[2-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 53005791

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole (CID 50748686) is 5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole is Cc1nc(-c2cc3ccccc3nc2N2CCN(c3ccccc3)CC2)no1.
What is the InChIKey of 5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole?
The InChIKey is KRHZBKDPDUDZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-16-23-21(25-28-16)19-15-17-7-5-6-10-20(17)24-22(19)27-13-11-26(12-14-27)18-8-3-2-4-9-18/h2-10,15H,11-14H2,1H3.
What are the key properties of 5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole?
5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole has a molecular weight of 371.44 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(4-phenylpiperazin-1-yl)quinolin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 50748686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).