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

C23H23N5O2 — CID 146279331

IUPAC[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol
SMILESOCc1ccc(-c2nc(CN3CCN(c4ccnc5ccccc45)CC3)no2)cc1
InChIInChI=1S/C23H23N5O2/c29-16-17-5-7-18(8-6-17)23-25-22(26-30-23)15-27-11-13-28(14-12-27)21-9-10-24-20-4-2-1-3-19(20)21/h1-10,29H,11-16H2
InChIKeyMRGJPTQXYYHLFI-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.10
Rot. Bonds5

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

[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol (PubChem CID 146279331) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is [4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol
PubChem CID146279331
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol
SMILESOCc1ccc(-c2nc(CN3CCN(c4ccnc5ccccc45)CC3)no2)cc1
InChIInChI=1S/C23H23N5O2/c29-16-17-5-7-18(8-6-17)23-25-22(26-30-23)15-27-11-13-28(14-12-27)21-9-10-24-20-4-2-1-3-19(20)21/h1-10,29H,11-16H2
InChIKeyMRGJPTQXYYHLFI-UHFFFAOYSA-N
XLogP3.10
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 146289060
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
(5-quinolin-4-yl-1,2,4-oxadiazol-3-yl)methanol
CID 102660418
2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile
CID 63337323
3-[[4-[(4-ethylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 4685200
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

Frequently Asked Questions

What is the IUPAC name of [4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol?
The IUPAC name of [4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol (CID 146279331) is [4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol?
The canonical SMILES for [4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol is OCc1ccc(-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]phenyl]methanol?
The InChIKey is MRGJPTQXYYHLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-16-17-5-7-18(8-6-17)23-25-22(26-30-23)15-27-11-13-28(14-12-27)21-9-10-24-20-4-2-1-3-19(20)21/h1-10,29H,11-16H2.
What are the key properties of [4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol?
[4-[3-[(4-quinolin-4-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanol has a molecular weight of 401.47 g/mol, XLogP of 3.10, 5 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]phenyl]methanol is sourced from PubChem (CID 146279331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).