2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione

C14H16N4O3 — CID 61025387

IUPAC2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione
SMILESCn1nc(Oc2cccc3c2NCCC3)c(=O)n(C)c1=O
InChIInChI=1S/C14H16N4O3/c1-17-13(19)12(16-18(2)14(17)20)21-10-7-3-5-9-6-4-8-15-11(9)10/h3,5,7,15H,4,6,8H2,1-2H3
InChIKeyHHGASLFIEZTMKD-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.63
Rot. Bonds2

About 2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione

2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione (PubChem CID 61025387) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione
PubChem CID61025387
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione
SMILESCn1nc(Oc2cccc3c2NCCC3)c(=O)n(C)c1=O
InChIInChI=1S/C14H16N4O3/c1-17-13(19)12(16-18(2)14(17)20)21-10-7-3-5-9-6-4-8-15-11(9)10/h3,5,7,15H,4,6,8H2,1-2H3
InChIKeyHHGASLFIEZTMKD-UHFFFAOYSA-N
XLogP0.63
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
CID 62929902
1-cyclopropyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
CID 62927288
8-pyridin-4-yloxy-1,2,3,4-tetrahydroquinoline
CID 54908431
8-[(3-methylsulfonyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 114599393
8-pyridin-2-yloxy-1,2,3,4-tetrahydroquinoline
CID 61025631
8-[(3,5-difluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 112676286
8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 62770238
8-[(5-bromo-3-chloro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 103582950
8-[(6-ethoxy-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 63589905
8-[(3-methyl-5-nitro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 62475365
8-[(5-fluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 61313548
2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline
CID 114789583

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione (CID 61025387) is 2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione is Cn1nc(Oc2cccc3c2NCCC3)c(=O)n(C)c1=O.
What is the InChIKey of 2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione?
The InChIKey is HHGASLFIEZTMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-17-13(19)12(16-18(2)14(17)20)21-10-7-3-5-9-6-4-8-15-11(9)10/h3,5,7,15H,4,6,8H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione?
2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione has a molecular weight of 288.31 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 61025387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).