5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole

C17H17ClN4O — CID 128563921

IUPAC5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3ccc4ccc(Cl)c(C)c4n3)C2)n1
InChIInChI=1S/C17H17ClN4O/c1-10-14(18)5-3-12-4-6-15(20-16(10)12)22-8-7-13(9-22)17-19-11(2)21-23-17/h3-6,13H,7-9H2,1-2H3
InChIKeyCPPIZUGBFBYPFY-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.88
Rot. Bonds2

About 5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole

5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 128563921) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID128563921
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCN(c3ccc4ccc(Cl)c(C)c4n3)C2)n1
InChIInChI=1S/C17H17ClN4O/c1-10-14(18)5-3-12-4-6-15(20-16(10)12)22-8-7-13(9-22)17-19-11(2)21-23-17/h3-6,13H,7-9H2,1-2H3
InChIKeyCPPIZUGBFBYPFY-UHFFFAOYSA-N
XLogP3.88
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122057954
(3S)-1-(7-chloro-8-methylquinolin-2-yl)piperidin-3-ol
CID 97258754
3-methyl-5-[1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 128979897
(2S)-4-(7-chloro-8-methylquinolin-2-yl)morpholine-2-carboxamide
CID 97258760
2-[[1-(7-chloro-8-methylquinolin-2-yl)piperidin-4-yl]-methylamino]ethanol
CID 133437520
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332
3-methyl-5-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]-1,2,4-oxadiazole
CID 94496992
(2-chloro-4,5-dimethylphenyl)-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 129491670
5-[(3R)-1-[(2-chloro-5-methoxyphenyl)methyl]pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129346756
5-[1-[5-chloro-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 154836223
5-[1-(5-bromopyrimidin-4-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 136541551

Frequently Asked Questions

What is the IUPAC name of 5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole (CID 128563921) is 5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCN(c3ccc4ccc(Cl)c(C)c4n3)C2)n1.
What is the InChIKey of 5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is CPPIZUGBFBYPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-10-14(18)5-3-12-4-6-15(20-16(10)12)22-8-7-13(9-22)17-19-11(2)21-23-17/h3-6,13H,7-9H2,1-2H3.
What are the key properties of 5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole?
5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 328.80 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(7-chloro-8-methylquinolin-2-yl)pyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 128563921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).