N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide

C26H16N4O3 — CID 67204744

IUPACN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H16N4O3/c31-24(28-26-30-29-25(33-26)23-14-17-10-4-7-13-22(17)32-23)19-15-21(16-8-2-1-3-9-16)27-20-12-6-5-11-18(19)20/h1-15H,(H,28,30,31)
InChIKeyFHKLDRQFBONVGU-UHFFFAOYSA-N
MW432.44 g/mol
LogP5.95
Rot. Bonds4

About N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide

N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide (PubChem CID 67204744) has the molecular formula C26H16N4O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
PubChem CID67204744
Molecular FormulaC26H16N4O3
Molecular Weight432.44 g/mol
Exact Mass432.12
IUPAC NameN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C26H16N4O3/c31-24(28-26-30-29-25(33-26)23-14-17-10-4-7-13-22(17)32-23)19-15-21(16-8-2-1-3-9-16)27-20-12-6-5-11-18(19)20/h1-15H,(H,28,30,31)
InChIKeyFHKLDRQFBONVGU-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

2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
CID 2104460
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 67204238
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 53323751
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 40957457
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 40957496
N-[4-(1-benzofuran-2-yl)phenyl]-7-methoxy-2-phenylquinoline-4-carboxamide
CID 164624795
2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
CID 67205439
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide
CID 67204691
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 40957771
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 40957658
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide (CID 67204744) is N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide is O=C(Nc1nnc(-c2cc3ccccc3o2)o1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
The InChIKey is FHKLDRQFBONVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N4O3/c31-24(28-26-30-29-25(33-26)23-14-17-10-4-7-13-22(17)32-23)19-15-21(16-8-2-1-3-9-16)27-20-12-6-5-11-18(19)20/h1-15H,(H,28,30,31).
What are the key properties of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide?
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-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-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 67204744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).