N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide

C23H17F2N5O2S — CID 19512537

IUPACN-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)Nc3nc4ccc(OC(F)F)cc4s3)c3ccccc3n2)cnn1C
InChIInChI=1S/C23H17F2N5O2S/c1-12-16(11-26-30(12)2)19-10-15(14-5-3-4-6-17(14)27-19)21(31)29-23-28-18-8-7-13(32-22(24)25)9-20(18)33-23/h3-11,22H,1-2H3,(H,28,29,31)
InChIKeySGKPOSPZXITDMQ-UHFFFAOYSA-N
MW465.49 g/mol
LogP5.41
Rot. Bonds5

About N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide

N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide (PubChem CID 19512537) has the molecular formula C23H17F2N5O2S and a molecular weight of 465.49 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
PubChem CID19512537
Molecular FormulaC23H17F2N5O2S
Molecular Weight465.49 g/mol
Exact Mass465.11
IUPAC NameN-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
SMILESCc1c(-c2cc(C(=O)Nc3nc4ccc(OC(F)F)cc4s3)c3ccccc3n2)cnn1C
InChIInChI=1S/C23H17F2N5O2S/c1-12-16(11-26-30(12)2)19-10-15(14-5-3-4-6-17(14)27-19)21(31)29-23-28-18-8-7-13(32-22(24)25)9-20(18)33-23/h3-11,22H,1-2H3,(H,28,29,31)
InChIKeySGKPOSPZXITDMQ-UHFFFAOYSA-N
XLogP5.41
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.49
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(difluoromethoxy)-4-methylphenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512452
2-(1,5-dimethylpyrazol-4-yl)-N-(1-methylbenzimidazol-2-yl)quinoline-4-carboxamide
CID 19512369
2-(1,5-dimethylpyrazol-4-yl)-N-(2,6-dimethylquinolin-5-yl)quinoline-4-carboxamide
CID 46971014
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 17026851
N-(2-benzoyl-4-chlorophenyl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512340
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2,3-dimethoxybenzamide
CID 4776340
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512143
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3252476
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19584177
2-(1,5-dimethylpyrazol-4-yl)-N-[5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-ethylpyrazol-4-yl]quinoline-4-carboxamide
CID 19512586
2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
CID 19512342
2-(difluoromethoxy)-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 112759261

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide?
The IUPAC name of N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide (CID 19512537) is N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide is Cc1c(-c2cc(C(=O)Nc3nc4ccc(OC(F)F)cc4s3)c3ccccc3n2)cnn1C.
What is the InChIKey of N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide?
The InChIKey is SGKPOSPZXITDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O2S/c1-12-16(11-26-30(12)2)19-10-15(14-5-3-4-6-17(14)27-19)21(31)29-23-28-18-8-7-13(32-22(24)25)9-20(18)33-23/h3-11,22H,1-2H3,(H,28,29,31).
What are the key properties of N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide?
N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide has a molecular weight of 465.49 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethoxy)-1,3-benzothiazol-2-yl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide is sourced from PubChem (CID 19512537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).