1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone

C18H20N6O2 — CID 133273186

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone
SMILESCOCc1cc(NCC(=O)N2CCCc3ccccc32)n2ncnc2n1
InChIInChI=1S/C18H20N6O2/c1-26-11-14-9-16(24-18(22-14)20-12-21-24)19-10-17(25)23-8-4-6-13-5-2-3-7-15(13)23/h2-3,5,7,9,12,19H,4,6,8,10-11H2,1H3
InChIKeyUAHAXVNXKLHYSQ-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.66
Rot. Bonds5

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone (PubChem CID 133273186) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone
PubChem CID133273186
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone
SMILESCOCc1cc(NCC(=O)N2CCCc3ccccc32)n2ncnc2n1
InChIInChI=1S/C18H20N6O2/c1-26-11-14-9-16(24-18(22-14)20-12-21-24)19-10-17(25)23-8-4-6-13-5-2-3-7-15(13)23/h2-3,5,7,9,12,19H,4,6,8,10-11H2,1H3
InChIKeyUAHAXVNXKLHYSQ-UHFFFAOYSA-N
XLogP1.66
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone with MolForge

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Related Compounds

N'-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
CID 16767887
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-ethoxyanilino)ethanone
CID 54825851
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanone
CID 39081516
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2,5-dimethoxyanilino)ethanone
CID 54813893
2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]-1-(4-phenylphenyl)ethanol
CID 133477232
2-(tert-butylamino)-1-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 78928291
2-(4-acetylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 9080074
4-bromo-N-[2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethyl]benzamide
CID 133270227
3-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]-N-(2-methoxyethyl)benzamide
CID 54836165
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(4-hydroxy-1-methoxy-2-methylbutan-2-yl)amino]ethanone
CID 111860110
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-6-(methoxymethyl)pyrimidin-4-yl]oxyacetic acid
CID 95924961
1-(2,3-dihydroindol-1-yl)-2-[4-(2-methoxyethoxy)anilino]ethanone
CID 54822552

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone (CID 133273186) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone is COCc1cc(NCC(=O)N2CCCc3ccccc32)n2ncnc2n1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone?
The InChIKey is UAHAXVNXKLHYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-26-11-14-9-16(24-18(22-14)20-12-21-24)19-10-17(25)23-8-4-6-13-5-2-3-7-15(13)23/h2-3,5,7,9,12,19H,4,6,8,10-11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone has a molecular weight of 352.40 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]ethanone is sourced from PubChem (CID 133273186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).