N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide

C23H20N4O2S — CID 47781887

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)Cn3ccc(=O)c4ccccc43)cc2)n1
InChIInChI=1S/C23H20N4O2S/c1-15-13-16(2)25-23(24-15)30-18-9-7-17(8-10-18)26-22(29)14-27-12-11-21(28)19-5-3-4-6-20(19)27/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyAATLZFZEJPUKDO-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.20
Rot. Bonds5

About N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide (PubChem CID 47781887) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide
PubChem CID47781887
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)Cn3ccc(=O)c4ccccc43)cc2)n1
InChIInChI=1S/C23H20N4O2S/c1-15-13-16(2)25-23(24-15)30-18-9-7-17(8-10-18)26-22(29)14-27-12-11-21(28)19-5-3-4-6-20(19)27/h3-13H,14H2,1-2H3,(H,26,29)
InChIKeyAATLZFZEJPUKDO-UHFFFAOYSA-N
XLogP4.20
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
CID 24591951
2-(4-acetamidophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]acetamide
CID 18208060
N-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
CID 100643827
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137278194
N-(4-chlorophenyl)-2-(6-methyl-4-oxoquinolin-1-yl)acetamide
CID 100741578
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
2-chloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 30257491
2-[3-[(Z)-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]hydrazinylidene]methyl]indol-1-yl]-N-(4-fluorophenyl)acetamide
CID 126249779
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
2-(7-chloro-4-oxoquinolin-1-yl)-N-(4-chlorophenyl)acetamide
CID 100738455
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16583700

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide (CID 47781887) is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide is Cc1cc(C)nc(Sc2ccc(NC(=O)Cn3ccc(=O)c4ccccc43)cc2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide?
The InChIKey is AATLZFZEJPUKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-15-13-16(2)25-23(24-15)30-18-9-7-17(8-10-18)26-22(29)14-27-12-11-21(28)19-5-3-4-6-20(19)27/h3-13H,14H2,1-2H3,(H,26,29).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide has a molecular weight of 416.51 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(4-oxoquinolin-1-yl)acetamide is sourced from PubChem (CID 47781887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).