N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide

C22H32N4O2 — CID 102563746

IUPACN-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide
SMILESCCC(CC)N(C(=O)CCc1nnc(C(C)C)o1)C1CCCc2cccnc21
InChIInChI=1S/C22H32N4O2/c1-5-17(6-2)26(18-11-7-9-16-10-8-14-23-21(16)18)20(27)13-12-19-24-25-22(28-19)15(3)4/h8,10,14-15,17-18H,5-7,9,11-13H2,1-4H3
InChIKeyFSMJVTOSTREPSR-UHFFFAOYSA-N
MW384.52 g/mol
LogP4.62
Rot. Bonds8

About N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide

N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide (PubChem CID 102563746) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide.

Molecular Properties

Compound NameN-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide
PubChem CID102563746
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide
SMILESCCC(CC)N(C(=O)CCc1nnc(C(C)C)o1)C1CCCc2cccnc21
InChIInChI=1S/C22H32N4O2/c1-5-17(6-2)26(18-11-7-9-16-10-8-14-23-21(16)18)20(27)13-12-19-24-25-22(28-19)15(3)4/h8,10,14-15,17-18H,5-7,9,11-13H2,1-4H3
InChIKeyFSMJVTOSTREPSR-UHFFFAOYSA-N
XLogP4.62
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide with MolForge

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Related Compounds

2,4-dimethyl-N-pentan-3-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]-1,3-oxazole-5-carboxamide
CID 124874416
5-(methylsulfonylmethyl)-N-propan-2-yl-N-(5,6,7,8-tetrahydroquinolin-8-yl)furan-2-carboxamide
CID 126817414
3-(5,6,7,8-tetrahydroquinolin-8-yl)butanoic acid
CID 81009137
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
1-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)hydrazine
CID 126714376
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
N-methyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]furan-2-carboxamide
CID 99790377
8-pentan-2-yl-5,6,7,8-tetrahydroquinoline
CID 67125718
3-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-one
CID 79745653
1-[(3S)-3-phenylpyrrolidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 93242539
N-[(5-bromofuran-2-yl)-(5,6,7,8-tetrahydroquinolin-8-yl)methyl]ethanamine
CID 105007431

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide?
The IUPAC name of N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide (CID 102563746) is N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide.
What is the SMILES notation for N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide?
The canonical SMILES for N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide is CCC(CC)N(C(=O)CCc1nnc(C(C)C)o1)C1CCCc2cccnc21.
What is the InChIKey of N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide?
The InChIKey is FSMJVTOSTREPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2/c1-5-17(6-2)26(18-11-7-9-16-10-8-14-23-21(16)18)20(27)13-12-19-24-25-22(28-19)15(3)4/h8,10,14-15,17-18H,5-7,9,11-13H2,1-4H3.
What are the key properties of N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide?
N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide has a molecular weight of 384.52 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)propanamide is sourced from PubChem (CID 102563746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).