N-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide

C21H21N5O3 — CID 166485709

IUPACN-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide
SMILESCc1nc(C2CC23CCCN3C(=O)CNC(=O)c2ccnc3ccccc23)no1
InChIInChI=1S/C21H21N5O3/c1-13-24-19(25-29-13)16-11-21(16)8-4-10-26(21)18(27)12-23-20(28)15-7-9-22-17-6-3-2-5-14(15)17/h2-3,5-7,9,16H,4,8,10-12H2,1H3,(H,23,28)
InChIKeyUZXJZBGNZFEEOI-UHFFFAOYSA-N
MW391.43 g/mol
LogP2.20
Rot. Bonds4

About N-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide

N-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide (PubChem CID 166485709) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide
PubChem CID166485709
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide
SMILESCc1nc(C2CC23CCCN3C(=O)CNC(=O)c2ccnc3ccccc23)no1
InChIInChI=1S/C21H21N5O3/c1-13-24-19(25-29-13)16-11-21(16)8-4-10-26(21)18(27)12-23-20(28)15-7-9-22-17-6-3-2-5-14(15)17/h2-3,5-7,9,16H,4,8,10-12H2,1H3,(H,23,28)
InChIKeyUZXJZBGNZFEEOI-UHFFFAOYSA-N
XLogP2.20
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide (CID 166485709) is N-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide is Cc1nc(C2CC23CCCN3C(=O)CNC(=O)c2ccnc3ccccc23)no1.
What is the InChIKey of N-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide?
The InChIKey is UZXJZBGNZFEEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-13-24-19(25-29-13)16-11-21(16)8-4-10-26(21)18(27)12-23-20(28)15-7-9-22-17-6-3-2-5-14(15)17/h2-3,5-7,9,16H,4,8,10-12H2,1H3,(H,23,28).
What are the key properties of N-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide?
N-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-azaspiro[2.4]heptan-4-yl]-2-oxoethyl]quinoline-4-carboxamide is sourced from PubChem (CID 166485709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).