[6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C20H17ClN6O2 — CID 45239374

IUPAC[6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc(C2CCCN2C(=O)c2cc(-c3cn[nH]c3)nc3ccc(Cl)cc23)n1
InChIInChI=1S/C20H17ClN6O2/c1-11-24-19(29-26-11)18-3-2-6-27(18)20(28)15-8-17(12-9-22-23-10-12)25-16-5-4-13(21)7-14(15)16/h4-5,7-10,18H,2-3,6H2,1H3,(H,22,23)
InChIKeyYAULISZWWFGYDD-UHFFFAOYSA-N
MW408.85 g/mol
LogP3.95
Rot. Bonds3

About [6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

[6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 45239374) has the molecular formula C20H17ClN6O2 and a molecular weight of 408.85 g/mol. Its IUPAC name is [6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID45239374
Molecular FormulaC20H17ClN6O2
Molecular Weight408.85 g/mol
Exact Mass408.11
IUPAC Name[6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1noc(C2CCCN2C(=O)c2cc(-c3cn[nH]c3)nc3ccc(Cl)cc23)n1
InChIInChI=1S/C20H17ClN6O2/c1-11-24-19(29-26-11)18-3-2-6-27(18)20(28)15-8-17(12-9-22-23-10-12)25-16-5-4-13(21)7-14(15)16/h4-5,7-10,18H,2-3,6H2,1H3,(H,22,23)
InChIKeyYAULISZWWFGYDD-UHFFFAOYSA-N
XLogP3.95
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chloro-4-fluorophenyl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 90564219
[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 97105096
(6-chloro-2-methylquinolin-4-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 70742167
1,3-dimethyl-4-[6-methyl-2-(1H-pyrazol-4-yl)quinoline-4-carbonyl]piperazin-2-one
CID 46998920
(5-chloro-2-fluorophenyl)-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53206131
[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90564112
(5-chloro-2-fluorophenyl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 91916619
(3-chlorophenyl)-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 5040853
[5-[4-(2-aminoethyl)phenoxy]-2-fluorophenyl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 172656246
[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 53206154
2-(4-chlorophenoxy)-2-methyl-1-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 97105106
1H-indol-4-yl-[(2S)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 95795288

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 45239374) is [6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is Cc1noc(C2CCCN2C(=O)c2cc(-c3cn[nH]c3)nc3ccc(Cl)cc23)n1.
What is the InChIKey of [6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is YAULISZWWFGYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O2/c1-11-24-19(29-26-11)18-3-2-6-27(18)20(28)15-8-17(12-9-22-23-10-12)25-16-5-4-13(21)7-14(15)16/h4-5,7-10,18H,2-3,6H2,1H3,(H,22,23).
What are the key properties of [6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
[6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 408.85 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(1H-pyrazol-4-yl)quinolin-4-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 45239374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).