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

C23H16N4O3S — CID 4601450

IUPACN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccccc1-c1nnc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)o1
InChIInChI=1S/C23H16N4O3S/c1-29-19-10-5-3-8-15(19)22-26-27-23(30-22)25-21(28)16-13-18(20-11-6-12-31-20)24-17-9-4-2-7-14(16)17/h2-13H,1H3,(H,25,27,28)
InChIKeyYCCGWENFRUMXBC-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.27
Rot. Bonds5

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

N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 4601450) has the molecular formula C23H16N4O3S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID4601450
Molecular FormulaC23H16N4O3S
Molecular Weight428.47 g/mol
Exact Mass428.09
IUPAC NameN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccccc1-c1nnc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)o1
InChIInChI=1S/C23H16N4O3S/c1-29-19-10-5-3-8-15(19)22-26-27-23(30-22)25-21(28)16-13-18(20-11-6-12-31-20)24-17-9-4-2-7-14(16)17/h2-13H,1H3,(H,25,27,28)
InChIKeyYCCGWENFRUMXBC-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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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 4601450) is N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is COc1ccccc1-c1nnc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)o1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is YCCGWENFRUMXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3S/c1-29-19-10-5-3-8-15(19)22-26-27-23(30-22)25-21(28)16-13-18(20-11-6-12-31-20)24-17-9-4-2-7-14(16)17/h2-13H,1H3,(H,25,27,28).
What are the key properties of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[5-(2-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-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4601450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).