1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one

C20H21ClN4O2 — CID 137434132

IUPAC1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one
SMILESCCc1cc(Cl)c2nc(N3CCC(=O)CC3)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C20H21ClN4O2/c1-4-13-9-15-11(2)17(20-22-12(3)24-27-20)19(23-18(15)16(21)10-13)25-7-5-14(26)6-8-25/h9-10H,4-8H2,1-3H3
InChIKeyDRPZYBSCDAXING-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.29
Rot. Bonds3

About 1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one

1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one (PubChem CID 137434132) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one
PubChem CID137434132
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one
SMILESCCc1cc(Cl)c2nc(N3CCC(=O)CC3)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C20H21ClN4O2/c1-4-13-9-15-11(2)17(20-22-12(3)24-27-20)19(23-18(15)16(21)10-13)25-7-5-14(26)6-8-25/h9-10H,4-8H2,1-3H3
InChIKeyDRPZYBSCDAXING-UHFFFAOYSA-N
XLogP4.29
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-4-yl)piperidin-4-amine
CID 137434175
ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine
CID 176715514
5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine
CID 176715531
6-[4,8-dimethyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(2,2,2-trifluoroethyl)quinolin-2-yl]-1,2-dioxa-6-azaspiro[2.5]octane
CID 142432343
(3S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-3-methyl-N-(oxan-4-ylmethyl)pyrrolidin-3-amine
CID 176715488
5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane
CID 176715508
8-[8-iodo-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(2,2,2-trifluoroethyl)quinolin-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 137434410
8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-oxopiperidin-1-yl)quinoline-6-carbonitrile
CID 137434440
1-[8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-(trifluoromethyl)quinolin-2-yl]piperidin-4-one
CID 137434486
1-[6-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxolan-3-yl)piperidin-4-amine
CID 135329075
1-[6-chloro-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-(oxan-3-yl)piperidin-4-amine
CID 135329064
5-(2-chloro-6-ethyl-7,8-difluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole
CID 137434506

Frequently Asked Questions

What is the IUPAC name of 1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one?
The IUPAC name of 1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one (CID 137434132) is 1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one.
What is the SMILES notation for 1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one?
The canonical SMILES for 1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one is CCc1cc(Cl)c2nc(N3CCC(=O)CC3)c(-c3nc(C)no3)c(C)c2c1.
What is the InChIKey of 1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one?
The InChIKey is DRPZYBSCDAXING-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c1-4-13-9-15-11(2)17(20-22-12(3)24-27-20)19(23-18(15)16(21)10-13)25-7-5-14(26)6-8-25/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one?
1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one has a molecular weight of 384.87 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one is sourced from PubChem (CID 137434132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).