2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

C25H19N5O3S — CID 995167

IUPAC2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)c1
InChIInChI=1S/C25H19N5O3S/c1-32-16-7-8-22(33-2)19(13-16)21-14-18(17-5-3-4-6-20(17)27-21)23(31)28-25-30-29-24(34-25)15-9-11-26-12-10-15/h3-14H,1-2H3,(H,28,30,31)
InChIKeyVWSVVJJAYAWZHC-UHFFFAOYSA-N
MW469.53 g/mol
LogP5.08
Rot. Bonds6

About 2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide

2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (PubChem CID 995167) has the molecular formula C25H19N5O3S and a molecular weight of 469.53 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
PubChem CID995167
Molecular FormulaC25H19N5O3S
Molecular Weight469.53 g/mol
Exact Mass469.12
IUPAC Name2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)c1
InChIInChI=1S/C25H19N5O3S/c1-32-16-7-8-22(33-2)19(13-16)21-14-18(17-5-3-4-6-20(17)27-21)23(31)28-25-30-29-24(34-25)15-9-11-26-12-10-15/h3-14H,1-2H3,(H,28,30,31)
InChIKeyVWSVVJJAYAWZHC-UHFFFAOYSA-N
XLogP5.08
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.53
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-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

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide (CID 995167) is 2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3nnc(-c4ccncc4)s3)c3ccccc3n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is VWSVVJJAYAWZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3S/c1-32-16-7-8-22(33-2)19(13-16)21-14-18(17-5-3-4-6-20(17)27-21)23(31)28-25-30-29-24(34-25)15-9-11-26-12-10-15/h3-14H,1-2H3,(H,28,30,31).
What are the key properties of 2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide?
2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 469.53 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 995167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).