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

C23H16N4O3S — CID 5111944

IUPACN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)o2)cc1
InChIInChI=1S/C23H16N4O3S/c1-29-15-10-8-14(9-11-15)22-26-27-23(30-22)25-21(28)17-13-19(20-7-4-12-31-20)24-18-6-3-2-5-16(17)18/h2-13H,1H3,(H,25,27,28)
InChIKeyDXJQMVLYVBDLDV-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.27
Rot. Bonds5

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

N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 5111944) has the molecular formula C23H16N4O3S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID5111944
Molecular FormulaC23H16N4O3S
Molecular Weight428.47 g/mol
Exact Mass428.09
IUPAC NameN-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)o2)cc1
InChIInChI=1S/C23H16N4O3S/c1-29-15-10-8-14(9-11-15)22-26-27-23(30-22)25-21(28)17-13-19(20-7-4-12-31-20)24-18-6-3-2-5-16(17)18/h2-13H,1H3,(H,25,27,28)
InChIKeyDXJQMVLYVBDLDV-UHFFFAOYSA-N
XLogP5.27
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-Phenyl-N-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl)-4-quinolinecarboxamide
CID 2104460
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 3274011
N-[5-(2-Furyl)-1,3,4-oxadiazol-2-yl]-2-(2-thienyl)-4-quinolinecarboxamide
CID 4253237
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(thiophen-2-yl)quinoline-4-carboxamide
CID 4601450
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 5111943
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 1312158
2-phenyl-N-[5-(2-thienyl)-1,3,4-oxadiazol-2-yl]-6-trifluoromethoxy-4-quinolinecarboxamide
CID 67204679
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-phenyl-6-(trifluoromethoxy)quinoline-4-carboxamide
CID 67204697
2-(4-ethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 1219889
N-[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 1371395
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 3441604
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 56075551

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 5111944) is N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is COc1ccc(-c2nnc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)o2)cc1.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is DXJQMVLYVBDLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3S/c1-29-15-10-8-14(9-11-15)22-26-27-23(30-22)25-21(28)17-13-19(20-7-4-12-31-20)24-18-6-3-2-5-16(17)18/h2-13H,1H3,(H,25,27,28).
What are the key properties of N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 5.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 5111944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).