N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide

C27H17N5O3 — CID 67204691

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C27H17N5O3/c33-25(30-27-32-31-26(35-27)24-7-4-14-34-24)21-16-23(18-5-2-1-3-6-18)29-22-9-8-19(15-20(21)22)17-10-12-28-13-11-17/h1-16H,(H,30,32,33)
InChIKeyDTFMYQACDOPKSJ-UHFFFAOYSA-N
MW459.47 g/mol
LogP5.86
Rot. Bonds5

About N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 67204691) has the molecular formula C27H17N5O3 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide
PubChem CID67204691
Molecular FormulaC27H17N5O3
Molecular Weight459.47 g/mol
Exact Mass459.13
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccc(-c3ccncc3)cc12
InChIInChI=1S/C27H17N5O3/c33-25(30-27-32-31-26(35-27)24-7-4-14-34-24)21-16-23(18-5-2-1-3-6-18)29-22-9-8-19(15-20(21)22)17-10-12-28-13-11-17/h1-16H,(H,30,32,33)
InChIKeyDTFMYQACDOPKSJ-UHFFFAOYSA-N
XLogP5.86
TPSA106.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.47
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(3-hydroxyphenyl)quinoline-4-carboxamide
CID 67204238
2-amino-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
CID 89120301
2-(2-fluorophenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
CID 67205439
6-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 67205544
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 67204744
N-[5-(furan-2-yl)-1H-imidazol-2-yl]-2-phenyl-6-pyridin-3-ylquinoline-4-carboxamide
CID 156700866
8-chloro-2-(furan-2-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]quinoline-4-carboxamide
CID 67206871
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]-3-(4-trimethylsilylphenyl)benzamide
CID 70941246
3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941308
3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 89120372
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylpiperidin-1-yl)-5-phenyl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
CID 70941253

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide (CID 67204691) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide is O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2)nc2ccc(-c3ccncc3)cc12.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is DTFMYQACDOPKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N5O3/c33-25(30-27-32-31-26(35-27)24-7-4-14-34-24)21-16-23(18-5-2-1-3-6-18)29-22-9-8-19(15-20(21)22)17-10-12-28-13-11-17/h1-16H,(H,30,32,33).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 459.47 g/mol, XLogP of 5.86, 5 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-phenyl-6-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 67204691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).