N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C24H22ClN5O3 — CID 56665632

IUPACN-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc2ccc(-c3noc(C4CCN(C(=O)Nc5ccccc5Cl)CC4)n3)nc12
InChIInChI=1S/C24H22ClN5O3/c1-32-20-8-4-5-15-9-10-19(26-21(15)20)22-28-23(33-29-22)16-11-13-30(14-12-16)24(31)27-18-7-3-2-6-17(18)25/h2-10,16H,11-14H2,1H3,(H,27,31)
InChIKeyXNSHMWXEBJZQTL-UHFFFAOYSA-N
MW463.93 g/mol
LogP5.36
Rot. Bonds4

About N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 56665632) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID56665632
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC NameN-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESCOc1cccc2ccc(-c3noc(C4CCN(C(=O)Nc5ccccc5Cl)CC4)n3)nc12
InChIInChI=1S/C24H22ClN5O3/c1-32-20-8-4-5-15-9-10-19(26-21(15)20)22-28-23(33-29-22)16-11-13-30(14-12-16)24(31)27-18-7-3-2-6-17(18)25/h2-10,16H,11-14H2,1H3,(H,27,31)
InChIKeyXNSHMWXEBJZQTL-UHFFFAOYSA-N
XLogP5.36
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.93
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 56665632) is N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is COc1cccc2ccc(-c3noc(C4CCN(C(=O)Nc5ccccc5Cl)CC4)n3)nc12.
What is the InChIKey of N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is XNSHMWXEBJZQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-32-20-8-4-5-15-9-10-19(26-21(15)20)22-28-23(33-29-22)16-11-13-30(14-12-16)24(31)27-18-7-3-2-6-17(18)25/h2-10,16H,11-14H2,1H3,(H,27,31).
What are the key properties of N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 463.93 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-[3-(8-methoxyquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 56665632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).