2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide

C19H25N3O2S — CID 9456581

IUPAC2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CSc1cc(C)c2cccc(C)c2n1
InChIInChI=1S/C19H25N3O2S/c1-5-9-20-16(23)11-22(4)18(24)12-25-17-10-14(3)15-8-6-7-13(2)19(15)21-17/h6-8,10H,5,9,11-12H2,1-4H3,(H,20,23)
InChIKeyVFBBVAUOIZMRFS-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.93
Rot. Bonds7

About 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide

2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide (PubChem CID 9456581) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
PubChem CID9456581
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)C(=O)CSc1cc(C)c2cccc(C)c2n1
InChIInChI=1S/C19H25N3O2S/c1-5-9-20-16(23)11-22(4)18(24)12-25-17-10-14(3)15-8-6-7-13(2)19(15)21-17/h6-8,10H,5,9,11-12H2,1-4H3,(H,20,23)
InChIKeyVFBBVAUOIZMRFS-UHFFFAOYSA-N
XLogP2.93
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 7363859
2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
CID 686722
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 7630283
N-benzyl-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-propan-2-ylacetamide
CID 7363744
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methylphenyl)acetamide
CID 39757967
2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40529800
N-(2-chlorophenyl)-2-[methyl-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 2443834
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
CID 7363691
2-[methyl-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-N-propylacetamide
CID 8731400
N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 25337709
2-ethylsulfanyl-4,8-dimethylquinoline
CID 39774365
2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]-N-(4-fluorophenyl)acetamide
CID 7743687

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide (CID 9456581) is 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)C(=O)CSc1cc(C)c2cccc(C)c2n1.
What is the InChIKey of 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide?
The InChIKey is VFBBVAUOIZMRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-5-9-20-16(23)11-22(4)18(24)12-25-17-10-14(3)15-8-6-7-13(2)19(15)21-17/h6-8,10H,5,9,11-12H2,1-4H3,(H,20,23).
What are the key properties of 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide?
2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide has a molecular weight of 359.50 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide is sourced from PubChem (CID 9456581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).