N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide

C22H19ClN6O2 — CID 44629236

IUPACN-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C22H19ClN6O2/c23-16-6-2-4-8-18(16)25-21(30)28-11-13-29(14-12-28)22-26-20(27-31-22)19-10-9-15-5-1-3-7-17(15)24-19/h1-10H,11-14H2,(H,25,30)
InChIKeyGYNUQDKANQWZSX-UHFFFAOYSA-N
MW434.89 g/mol
LogP4.29
Rot. Bonds3

About N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide

N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide (PubChem CID 44629236) has the molecular formula C22H19ClN6O2 and a molecular weight of 434.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
PubChem CID44629236
Molecular FormulaC22H19ClN6O2
Molecular Weight434.89 g/mol
Exact Mass434.13
IUPAC NameN-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1
InChIInChI=1S/C22H19ClN6O2/c23-16-6-2-4-8-18(16)25-21(30)28-11-13-29(14-12-28)22-26-20(27-31-22)19-10-9-15-5-1-3-7-17(15)24-19/h1-10H,11-14H2,(H,25,30)
InChIKeyGYNUQDKANQWZSX-UHFFFAOYSA-N
XLogP4.29
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.89
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chloro-5-cyanophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 44628524
N-[2-(1,3-oxazol-5-yl)phenyl]-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 44628527
N-(2-chlorophenyl)-4-(1-ethylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 44754338
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019941
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-N-(2-chlorophenyl)piperazine-1-carboxamide
CID 46268599
4-(2-chlorophenyl)-N-(7-hydroxynaphthalen-1-yl)piperazine-1-carboxamide
CID 10194004
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N-(2-chlorophenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 22519629
N-cyclohexyl-4-[3-(6-fluoroquinolin-2-yl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 44629074
N-(3-chloro-2-methylphenyl)-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 50780396
N-(2-chlorophenyl)-4-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 44629230

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide (CID 44629236) is N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc4ccccc4n3)no2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
The InChIKey is GYNUQDKANQWZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6O2/c23-16-6-2-4-8-18(16)25-21(30)28-11-13-29(14-12-28)22-26-20(27-31-22)19-10-9-15-5-1-3-7-17(15)24-19/h1-10H,11-14H2,(H,25,30).
What are the key properties of N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide?
N-(2-chlorophenyl)-4-(3-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide has a molecular weight of 434.89 g/mol, XLogP of 4.29, 3 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-quinolin-2-yl-1,2,4-oxadiazol-5-yl)piperazine-1-carboxamide is sourced from PubChem (CID 44629236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).