N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide

C25H18N4O2 — CID 53323751

IUPACN-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)o1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H18N4O2/c30-24(27-25-29-28-23(31-25)15-17-9-3-1-4-10-17)20-16-22(18-11-5-2-6-12-18)26-21-14-8-7-13-19(20)21/h1-14,16H,15H2,(H,27,29,30)
InChIKeyAIGSXPWRDDHJTH-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.13
Rot. Bonds5

About N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide

N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 53323751) has the molecular formula C25H18N4O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide
PubChem CID53323751
Molecular FormulaC25H18N4O2
Molecular Weight406.45 g/mol
Exact Mass406.14
IUPAC NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1nnc(Cc2ccccc2)o1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H18N4O2/c30-24(27-25-29-28-23(31-25)15-17-9-3-1-4-10-17)20-16-22(18-11-5-2-6-12-18)26-21-14-8-7-13-19(20)21/h1-14,16H,15H2,(H,27,29,30)
InChIKeyAIGSXPWRDDHJTH-UHFFFAOYSA-N
XLogP5.13
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 67204744
2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
CID 2104460
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-3-oxobenzo[f]chromene-2-carboxamide
CID 16917380
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
3-methoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43973259
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-thiadiazol-2-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 16547328
N-(1,2-oxazol-3-yl)-2-phenylquinoline-4-carboxamide
CID 899144
2-phenyl-N-prop-2-ynylquinoline-4-carboxamide
CID 17474136
N-(4-oxo-1H-pyridin-3-yl)-2-phenylquinoline-4-carboxamide
CID 51114321
N-(2-carbamoyl-4,5-difluorophenyl)-2-phenylquinoline-4-carboxamide
CID 166336345

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide (CID 53323751) is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide is O=C(Nc1nnc(Cc2ccccc2)o1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is AIGSXPWRDDHJTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4O2/c30-24(27-25-29-28-23(31-25)15-17-9-3-1-4-10-17)20-16-22(18-11-5-2-6-12-18)26-21-14-8-7-13-19(20)21/h1-14,16H,15H2,(H,27,29,30).
What are the key properties of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide?
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 53323751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).