1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C16H18N4OS — CID 23326421

IUPAC1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCSc1nnc(-c2ccc3c(c2)CCCN3C(C)=O)c(C)n1
InChIInChI=1S/C16H18N4OS/c1-10-15(18-19-16(17-10)22-3)13-6-7-14-12(9-13)5-4-8-20(14)11(2)21/h6-7,9H,4-5,8H2,1-3H3
InChIKeyVGDXQMVNDZKEJT-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.87
Rot. Bonds2

About 1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 23326421) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID23326421
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCSc1nnc(-c2ccc3c(c2)CCCN3C(C)=O)c(C)n1
InChIInChI=1S/C16H18N4OS/c1-10-15(18-19-16(17-10)22-3)13-6-7-14-12(9-13)5-4-8-20(14)11(2)21/h6-7,9H,4-5,8H2,1-3H3
InChIKeyVGDXQMVNDZKEJT-UHFFFAOYSA-N
XLogP2.87
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

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Related Compounds

N-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyridinyl]acetamide
CID 139019291
2-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)phenyl]acetic acid
CID 129145060
1-[5-[2-(4-hydroxyphenyl)-5-methyl-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 135876242
1-[6-(hydroxymethyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 21254818
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 1458252
5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-1H-pyrrole-3-carboxylic acid
CID 82365008
1-acetyl-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 100621779
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 31843878
2-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)acetic acid
CID 20618502
1-[6-(2,2-dimethylpropyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 91584426
2-[5-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)furan-2-yl]acetic acid
CID 82368579
N-[4-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 122589319

Frequently Asked Questions

What is the IUPAC name of 1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 23326421) is 1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CSc1nnc(-c2ccc3c(c2)CCCN3C(C)=O)c(C)n1.
What is the InChIKey of 1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is VGDXQMVNDZKEJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-10-15(18-19-16(17-10)22-3)13-6-7-14-12(9-13)5-4-8-20(14)11(2)21/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 314.41 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(5-methyl-3-methylsulfanyl-1,2,4-triazin-6-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 23326421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).