2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide

C22H17N3OS — CID 23093954

IUPAC2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide
SMILESO=C(Nc1ccc2ncccc2c1)c1ccccc1SCc1ccncc1
InChIInChI=1S/C22H17N3OS/c26-22(25-18-7-8-20-17(14-18)4-3-11-24-20)19-5-1-2-6-21(19)27-15-16-9-12-23-13-10-16/h1-14H,15H2,(H,25,26)
InChIKeyYKVYSEPPEQGDKS-UHFFFAOYSA-N
MW371.47 g/mol
LogP5.17
Rot. Bonds5

About 2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide

2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide (PubChem CID 23093954) has the molecular formula C22H17N3OS and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide.

Molecular Properties

Compound Name2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide
PubChem CID23093954
Molecular FormulaC22H17N3OS
Molecular Weight371.47 g/mol
Exact Mass371.11
IUPAC Name2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide
SMILESO=C(Nc1ccc2ncccc2c1)c1ccccc1SCc1ccncc1
InChIInChI=1S/C22H17N3OS/c26-22(25-18-7-8-20-17(14-18)4-3-11-24-20)19-5-1-2-6-21(19)27-15-16-9-12-23-13-10-16/h1-14H,15H2,(H,25,26)
InChIKeyYKVYSEPPEQGDKS-UHFFFAOYSA-N
XLogP5.17
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.47
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethylsulfanyl-N-quinolin-6-ylbenzamide
CID 166190376
N-isoquinolin-3-yl-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10090622
N-(4-chloro-3-methylphenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 10021972
N-(3-bromophenyl)-2-(pyridin-4-ylmethylsulfanyl)benzamide
CID 23093858
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-quinolin-6-ylbenzamide
CID 60555097
2-(2-methoxyethoxy)-N-quinolin-6-ylpyridine-3-carboxamide
CID 60573798
N-quinolin-6-ylbenzamide
CID 833617
N-(4-chlorophenyl)-2-(quinolin-6-ylmethylsulfanyl)pyridine-3-carboxamide
CID 11847040
3-chloro-N-quinolin-6-ylpyridine-4-carboxamide
CID 66484536
N-(4-chlorophenyl)-3-(pyridin-4-ylmethylsulfanyl)pyridine-2-carboxamide
CID 23093763
2-[(2-amino-4-pyridinyl)methylsulfanyl]-N-(4-chlorophenyl)benzamide
CID 11164561
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide?
The IUPAC name of 2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide (CID 23093954) is 2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide.
What is the SMILES notation for 2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide?
The canonical SMILES for 2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide is O=C(Nc1ccc2ncccc2c1)c1ccccc1SCc1ccncc1.
What is the InChIKey of 2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide?
The InChIKey is YKVYSEPPEQGDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3OS/c26-22(25-18-7-8-20-17(14-18)4-3-11-24-20)19-5-1-2-6-21(19)27-15-16-9-12-23-13-10-16/h1-14H,15H2,(H,25,26).
What are the key properties of 2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide?
2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide has a molecular weight of 371.47 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-4-ylmethylsulfanyl)-N-quinolin-6-ylbenzamide is sourced from PubChem (CID 23093954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).