1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide

C24H23N5O2 — CID 50832335

IUPAC1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(-c2noc(-c3cc(N4CCC(C(N)=O)CC4)nc4ccccc34)n2)c1
InChIInChI=1S/C24H23N5O2/c1-15-5-4-6-17(13-15)23-27-24(31-28-23)19-14-21(26-20-8-3-2-7-18(19)20)29-11-9-16(10-12-29)22(25)30/h2-8,13-14,16H,9-12H2,1H3,(H2,25,30)
InChIKeyGJUOWYQWWUBUGN-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.96
Rot. Bonds4

About 1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide

1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide (PubChem CID 50832335) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide
PubChem CID50832335
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(-c2noc(-c3cc(N4CCC(C(N)=O)CC4)nc4ccccc34)n2)c1
InChIInChI=1S/C24H23N5O2/c1-15-5-4-6-17(13-15)23-27-24(31-28-23)19-14-21(26-20-8-3-2-7-18(19)20)29-11-9-16(10-12-29)22(25)30/h2-8,13-14,16H,9-12H2,1H3,(H2,25,30)
InChIKeyGJUOWYQWWUBUGN-UHFFFAOYSA-N
XLogP3.96
TPSA98.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinolin-4-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 46390254
1-[3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 143793952
1-[4-[4-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperazin-1-yl]ethanone
CID 50832596
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 119904127
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929866
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 53135902
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylisoquinolin-1-one
CID 53007308
1-[1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 53135799
N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 1247975
N-[(4-methoxyphenyl)methyl]-1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53012087
1-(4-methyl-8-propan-2-ylquinolin-2-yl)piperidine-4-carboxamide
CID 4784922

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide (CID 50832335) is 1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide is Cc1cccc(-c2noc(-c3cc(N4CCC(C(N)=O)CC4)nc4ccccc34)n2)c1.
What is the InChIKey of 1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide?
The InChIKey is GJUOWYQWWUBUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-15-5-4-6-17(13-15)23-27-24(31-28-23)19-14-21(26-20-8-3-2-7-18(19)20)29-11-9-16(10-12-29)22(25)30/h2-8,13-14,16H,9-12H2,1H3,(H2,25,30).
What are the key properties of 1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide?
1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]quinolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50832335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).