4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol

C22H21N5O2 — CID 146289060

IUPAC4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(CN3CCN(c4ccnc5ccccc45)CC3)no2)cc1
InChIInChI=1S/C22H21N5O2/c28-17-7-5-16(6-8-17)22-24-21(25-29-22)15-26-11-13-27(14-12-26)20-9-10-23-19-4-2-1-3-18(19)20/h1-10,28H,11-15H2
InChIKeySFVNKADDPDPSPR-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.31
Rot. Bonds4

About 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol

4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 146289060) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID146289060
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(CN3CCN(c4ccnc5ccccc45)CC3)no2)cc1
InChIInChI=1S/C22H21N5O2/c28-17-7-5-16(6-8-17)22-24-21(25-29-22)15-26-11-13-27(14-12-26)20-9-10-23-19-4-2-1-3-18(19)20/h1-10,28H,11-15H2
InChIKeySFVNKADDPDPSPR-UHFFFAOYSA-N
XLogP3.31
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol with MolForge

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Related Compounds

[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol
CID 146279331
N-[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 146279309
methyl 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]benzoate
CID 146279337
3-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 146279340
5-(3-methylphenyl)-3-[[4-(7-pyridin-3-ylquinolin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 146279308
3-[[4-(6-bromoquinolin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 133342756
2-(4-quinolin-4-ylpiperazin-1-yl)ethanamine
CID 61340442
2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile
CID 63337323
1-morpholin-4-yl-2-(4-quinolin-4-ylpiperazin-1-yl)ethanone
CID 75370496
1-[4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 42879636
(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol
CID 102660418
(3R)-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-ol
CID 78963265

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol (CID 146289060) is 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(CN3CCN(c4ccnc5ccccc45)CC3)no2)cc1.
What is the InChIKey of 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is SFVNKADDPDPSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c28-17-7-5-16(6-8-17)22-24-21(25-29-22)15-26-11-13-27(14-12-26)20-9-10-23-19-4-2-1-3-18(19)20/h1-10,28H,11-15H2.
What are the key properties of 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 387.44 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 146289060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).