N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide

C21H19N5O3 — CID 44608079

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C21H19N5O3/c27-19(23-21-25-24-20(29-21)17-9-6-12-28-17)15-13-18(26-10-4-1-5-11-26)22-16-8-3-2-7-14(15)16/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,23,25,27)
InChIKeySQKUEYLKPDECON-UHFFFAOYSA-N
MW389.42 g/mol
LogP4.12
Rot. Bonds4

About N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide (PubChem CID 44608079) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide
PubChem CID44608079
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C21H19N5O3/c27-19(23-21-25-24-20(29-21)17-9-6-12-28-17)15-13-18(26-10-4-1-5-11-26)22-16-8-3-2-7-14(15)16/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,23,25,27)
InChIKeySQKUEYLKPDECON-UHFFFAOYSA-N
XLogP4.12
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide (CID 44608079) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1cc(N2CCCCC2)nc2ccccc12.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide?
The InChIKey is SQKUEYLKPDECON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c27-19(23-21-25-24-20(29-21)17-9-6-12-28-17)15-13-18(26-10-4-1-5-11-26)22-16-8-3-2-7-14(15)16/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,23,25,27).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 44608079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).