N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

C20H14ClN3O2S — CID 112795524

IUPACN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccnc4ccccc34)n2)cc1Cl
InChIInChI=1S/C20H14ClN3O2S/c1-26-18-7-6-12(10-15(18)21)17-11-27-20(23-17)24-19(25)14-8-9-22-16-5-3-2-4-13(14)16/h2-11H,1H3,(H,23,24,25)
InChIKeyNZCFKACPZBBCJA-UHFFFAOYSA-N
MW395.87 g/mol
LogP5.27
Rot. Bonds4

About N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide

N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (PubChem CID 112795524) has the molecular formula C20H14ClN3O2S and a molecular weight of 395.87 g/mol. Its IUPAC name is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
PubChem CID112795524
Molecular FormulaC20H14ClN3O2S
Molecular Weight395.87 g/mol
Exact Mass395.05
IUPAC NameN-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3ccnc4ccccc34)n2)cc1Cl
InChIInChI=1S/C20H14ClN3O2S/c1-26-18-7-6-12(10-15(18)21)17-11-27-20(23-17)24-19(25)14-8-9-22-16-5-3-2-4-13(14)16/h2-11H,1H3,(H,23,24,25)
InChIKeyNZCFKACPZBBCJA-UHFFFAOYSA-N
XLogP5.27
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.87
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 28550985
2-chloro-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696321
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 2162604
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 28550562
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 7603429
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447891
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide
CID 24594548
4-(2-amino-2-oxoethoxy)-N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 27446268
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-fluoro-2-iodobenzamide
CID 38928487
3-chloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 6491053
methyl 6-[[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]pyridine-3-carboxylate
CID 32520564
N-(4-chloro-2,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 78813029

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide (CID 112795524) is N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is COc1ccc(-c2csc(NC(=O)c3ccnc4ccccc34)n2)cc1Cl.
What is the InChIKey of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
The InChIKey is NZCFKACPZBBCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2S/c1-26-18-7-6-12(10-15(18)21)17-11-27-20(23-17)24-19(25)14-8-9-22-16-5-3-2-4-13(14)16/h2-11H,1H3,(H,23,24,25).
What are the key properties of N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide?
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide has a molecular weight of 395.87 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 112795524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).