N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C21H26N4O3 — CID 110632676

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc2cc(CCC(=O)NCCc3noc(C(C)(C)C)n3)c(=O)[nH]c2c1
InChIInChI=1S/C21H26N4O3/c1-13-5-6-14-12-15(19(27)23-16(14)11-13)7-8-18(26)22-10-9-17-24-20(28-25-17)21(2,3)4/h5-6,11-12H,7-10H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyQXFIIEUXEJBLCG-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110632676) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110632676
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc2cc(CCC(=O)NCCc3noc(C(C)(C)C)n3)c(=O)[nH]c2c1
InChIInChI=1S/C21H26N4O3/c1-13-5-6-14-12-15(19(27)23-16(14)11-13)7-8-18(26)22-10-9-17-24-20(28-25-17)21(2,3)4/h5-6,11-12H,7-10H2,1-4H3,(H,22,26)(H,23,27)
InChIKeyQXFIIEUXEJBLCG-UHFFFAOYSA-N
XLogP2.81
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
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CID 110331176
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110311153
N-[3-(diethylamino)propyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
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3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 53174855
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-propylpropanamide
CID 110406226
4-(4-methoxyphenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415264
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110423215
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 110408526
N-[2-(dimethylamino)-2-phenylethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110620872
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methylbenzamide
CID 110294289
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 110632676) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide is Cc1ccc2cc(CCC(=O)NCCc3noc(C(C)(C)C)n3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is QXFIIEUXEJBLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-5-6-14-12-15(19(27)23-16(14)11-13)7-8-18(26)22-10-9-17-24-20(28-25-17)21(2,3)4/h5-6,11-12H,7-10H2,1-4H3,(H,22,26)(H,23,27).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 382.46 g/mol, XLogP of 2.81, 6 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]-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110632676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).