N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide

C20H24N4O3 — CID 110311153

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
SMILESCc1cc2cc(CC(=O)NCCc3noc(C(C)(C)C)n3)ccc2[nH]c1=O
InChIInChI=1S/C20H24N4O3/c1-12-9-14-10-13(5-6-15(14)22-18(12)26)11-17(25)21-8-7-16-23-19(27-24-16)20(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyOZLFNASSGBNXPV-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide (PubChem CID 110311153) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
PubChem CID110311153
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
SMILESCc1cc2cc(CC(=O)NCCc3noc(C(C)(C)C)n3)ccc2[nH]c1=O
InChIInChI=1S/C20H24N4O3/c1-12-9-14-10-13(5-6-15(14)22-18(12)26)11-17(25)21-8-7-16-23-19(27-24-16)20(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyOZLFNASSGBNXPV-UHFFFAOYSA-N
XLogP2.42
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110632676
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-methylbenzamide
CID 110294288
N-[4-(2-methoxyphenyl)butyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110616089
2-(3-methyl-2-oxo-1H-quinolin-6-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616680
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110300545
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
CID 110294289
N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110303379
N-(4-fluorophenyl)-3-(3-methyl-2-oxo-1H-quinolin-6-yl)propanamide
CID 110390148
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-chlorobenzamide
CID 110294332
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxybenzamide
CID 110294299
N-(2-bromophenyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110300601
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-cyclopropyl-3-(4-methylphenyl)propanamide
CID 110311105

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide (CID 110311153) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide is Cc1cc2cc(CC(=O)NCCc3noc(C(C)(C)C)n3)ccc2[nH]c1=O.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
The InChIKey is OZLFNASSGBNXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12-9-14-10-13(5-6-15(14)22-18(12)26)11-17(25)21-8-7-16-23-19(27-24-16)20(2,3)4/h5-6,9-10H,7-8,11H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide is sourced from PubChem (CID 110311153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).