tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate

C21H26N4O4 — CID 99639448

IUPACtert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
SMILESCN1C(=O)CCc2cc(-c3nc(C4(NC(=O)OC(C)(C)C)CCC4)no3)ccc21
InChIInChI=1S/C21H26N4O4/c1-20(2,3)28-19(27)23-21(10-5-11-21)18-22-17(29-24-18)14-6-8-15-13(12-14)7-9-16(26)25(15)4/h6,8,12H,5,7,9-11H2,1-4H3,(H,23,27)
InChIKeyWVGABIPCFNWINI-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.55
Rot. Bonds3

About tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate

tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate (PubChem CID 99639448) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
PubChem CID99639448
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Nametert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate
SMILESCN1C(=O)CCc2cc(-c3nc(C4(NC(=O)OC(C)(C)C)CCC4)no3)ccc21
InChIInChI=1S/C21H26N4O4/c1-20(2,3)28-19(27)23-21(10-5-11-21)18-22-17(29-24-18)14-6-8-15-13(12-14)7-9-16(26)25(15)4/h6,8,12H,5,7,9-11H2,1-4H3,(H,23,27)
InChIKeyWVGABIPCFNWINI-UHFFFAOYSA-N
XLogP3.55
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate (CID 99639448) is tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate is CN1C(=O)CCc2cc(-c3nc(C4(NC(=O)OC(C)(C)C)CCC4)no3)ccc21.
What is the InChIKey of tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
The InChIKey is WVGABIPCFNWINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-20(2,3)28-19(27)23-21(10-5-11-21)18-22-17(29-24-18)14-6-8-15-13(12-14)7-9-16(26)25(15)4/h6,8,12H,5,7,9-11H2,1-4H3,(H,23,27).
What are the key properties of tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate?
tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate has a molecular weight of 398.46 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]carbamate is sourced from PubChem (CID 99639448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).