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

C24H18N4O2S — CID 16821787

IUPACN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)o2)c(C)c1
InChIInChI=1S/C24H18N4O2S/c1-14-9-10-16(15(2)12-14)23-27-28-24(30-23)26-22(29)18-13-20(21-8-5-11-31-21)25-19-7-4-3-6-17(18)19/h3-13H,1-2H3,(H,26,28,29)
InChIKeyBAYVBJGAYHUKCH-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.88
Rot. Bonds4

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

N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 16821787) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID16821787
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC NameN-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCc1ccc(-c2nnc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)o2)c(C)c1
InChIInChI=1S/C24H18N4O2S/c1-14-9-10-16(15(2)12-14)23-27-28-24(30-23)26-22(29)18-13-20(21-8-5-11-31-21)25-19-7-4-3-6-17(18)19/h3-13H,1-2H3,(H,26,28,29)
InChIKeyBAYVBJGAYHUKCH-UHFFFAOYSA-N
XLogP5.88
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 4303105
2-phenyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)quinoline-4-carboxamide
CID 2104460
2-thiophen-2-yl-N-(2,4,6-trimethylphenyl)quinoline-4-carboxamide
CID 2385229
2-chloro-N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821770
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxamide
CID 67203917
N-(4-iodo-2-methylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 2340923
2-(2,4-dimethylphenyl)-N-(1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 1010315
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
N-(2-methylsulfanylphenyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 1261690
N-(2-methyl-1,3-dioxoisoindol-4-yl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 7157916
N-naphthalen-2-yl-2-thiophen-2-ylquinoline-4-carboxamide
CID 2316962

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 16821787) is N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is Cc1ccc(-c2nnc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)o2)c(C)c1.
What is the InChIKey of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is BAYVBJGAYHUKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c1-14-9-10-16(15(2)12-14)23-27-28-24(30-23)26-22(29)18-13-20(21-8-5-11-31-21)25-19-7-4-3-6-17(18)19/h3-13H,1-2H3,(H,26,28,29).
What are the key properties of N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 5.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 16821787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).