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

C26H16N4O3 — CID 53318421

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C26H16N4O3/c31-24(28-26-30-29-25(33-26)23-13-6-14-32-23)20-15-22(27-21-12-4-3-10-19(20)21)18-11-5-8-16-7-1-2-9-17(16)18/h1-15H,(H,28,30,31)
InChIKeyWJWGIMDGOPMMMM-UHFFFAOYSA-N
MW432.44 g/mol
LogP5.95
Rot. Bonds4

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

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide (PubChem CID 53318421) has the molecular formula C26H16N4O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide
PubChem CID53318421
Molecular FormulaC26H16N4O3
Molecular Weight432.44 g/mol
Exact Mass432.12
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccc3ccccc23)nc2ccccc12
InChIInChI=1S/C26H16N4O3/c31-24(28-26-30-29-25(33-26)23-13-6-14-32-23)20-15-22(27-21-12-4-3-10-19(20)21)18-11-5-8-16-7-1-2-9-17(16)18/h1-15H,(H,28,30,31)
InChIKeyWJWGIMDGOPMMMM-UHFFFAOYSA-N
XLogP5.95
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.44
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Quinoline carboxamide derivative 1
CID 4253236
N-[5-(2-Furyl)-1,3,4-oxadiazol-2-yl]-2-(2-thienyl)-4-quinolinecarboxamide
CID 4253237
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-piperidin-1-ylquinoline-4-carboxamide
CID 44608079
N-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 44610292
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
CID 53317135
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-2-ylquinoline-4-carboxamide
CID 53318975
2-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
CID 53319753
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 53321047
2-(2-Furyl)-N-[5-(2-furyl)-1,3,4-oxadiazol-2-yl]-4-quinolinecarboxamide
CID 53321048
Quinoline carboxamide derivative 3
CID 67204713
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 5111943
Quinoline carboxamide derivative 2
CID 67206397

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide (CID 53318421) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2cccc3ccccc23)nc2ccccc12.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide?
The InChIKey is WJWGIMDGOPMMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N4O3/c31-24(28-26-30-29-25(33-26)23-13-6-14-32-23)20-15-22(27-21-12-4-3-10-19(20)21)18-11-5-8-16-7-1-2-9-17(16)18/h1-15H,(H,28,30,31).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 53318421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).