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

C24H18N4O4S — CID 4303105

IUPACN-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)o2)c(OC)c1
InChIInChI=1S/C24H18N4O4S/c1-30-14-9-10-16(20(12-14)31-2)23-27-28-24(32-23)26-22(29)17-13-19(21-8-5-11-33-21)25-18-7-4-3-6-15(17)18/h3-13H,1-2H3,(H,26,28,29)
InChIKeyZZIMBLARGSZLQY-UHFFFAOYSA-N
MW458.50 g/mol
LogP5.28
Rot. Bonds6

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

N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 4303105) has the molecular formula C24H18N4O4S and a molecular weight of 458.50 g/mol. Its IUPAC name is N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID4303105
Molecular FormulaC24H18N4O4S
Molecular Weight458.50 g/mol
Exact Mass458.10
IUPAC NameN-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)o2)c(OC)c1
InChIInChI=1S/C24H18N4O4S/c1-30-14-9-10-16(20(12-14)31-2)23-27-28-24(32-23)26-22(29)17-13-19(21-8-5-11-33-21)25-18-7-4-3-6-15(17)18/h3-13H,1-2H3,(H,26,28,29)
InChIKeyZZIMBLARGSZLQY-UHFFFAOYSA-N
XLogP5.28
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.50
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide with MolForge

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Related Compounds

N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 16821787
N-(2,4-dimethoxyphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 998090
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 60613288
2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
CID 2104460
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15988959
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848807
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-iodobenzamide
CID 4149199
methyl 4,5-dimethoxy-2-[(2-thiophen-2-ylquinoline-4-carbonyl)amino]benzoate
CID 1261711
2,5-dichloro-N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3402291
N'-[2-(4-methoxyphenyl)acetyl]-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 31835498
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
2-(2,4-dimethoxyphenyl)-N-naphthalen-2-ylquinoline-4-carboxamide
CID 4659976

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 4303105) is N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is COc1ccc(-c2nnc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)o2)c(OC)c1.
What is the InChIKey of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is ZZIMBLARGSZLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4S/c1-30-14-9-10-16(20(12-14)31-2)23-27-28-24(32-23)26-22(29)17-13-19(21-8-5-11-33-21)25-18-7-4-3-6-15(17)18/h3-13H,1-2H3,(H,26,28,29).
What are the key properties of N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 458.50 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4303105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).