2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C21H17N3O3S — CID 1292095

IUPAC2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C21H17N3O3S/c1-26-13-7-8-15(19(11-13)27-2)18-12-16(14-5-3-4-6-17(14)23-18)20(25)24-21-22-9-10-28-21/h3-12H,1-2H3,(H,22,24,25)
InChIKeyJYGJTBGNKBPCDZ-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.63
Rot. Bonds5

About 2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 1292095) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID1292095
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C21H17N3O3S/c1-26-13-7-8-15(19(11-13)27-2)18-12-16(14-5-3-4-6-17(14)23-18)20(25)24-21-22-9-10-28-21/h3-12H,1-2H3,(H,22,24,25)
InChIKeyJYGJTBGNKBPCDZ-UHFFFAOYSA-N
XLogP4.63
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 1292095) is 2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is JYGJTBGNKBPCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-26-13-7-8-15(19(11-13)27-2)18-12-16(14-5-3-4-6-17(14)23-18)20(25)24-21-22-9-10-28-21/h3-12H,1-2H3,(H,22,24,25).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 1292095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).