ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate

C20H26N6O2 — CID 112956946

IUPACethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nncc(N3CCCc4ccccc43)n2)CC1
InChIInChI=1S/C20H26N6O2/c1-2-28-20(27)25-12-9-16(10-13-25)22-19-23-18(14-21-24-19)26-11-5-7-15-6-3-4-8-17(15)26/h3-4,6,8,14,16H,2,5,7,9-13H2,1H3,(H,22,23,24)
InChIKeyGGJOROYWDIZTQG-UHFFFAOYSA-N
MW382.47 g/mol
LogP2.99
Rot. Bonds4

About ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate

ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate (PubChem CID 112956946) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
PubChem CID112956946
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Nameethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nncc(N3CCCc4ccccc43)n2)CC1
InChIInChI=1S/C20H26N6O2/c1-2-28-20(27)25-12-9-16(10-13-25)22-19-23-18(14-21-24-19)26-11-5-7-15-6-3-4-8-17(15)26/h3-4,6,8,14,16H,2,5,7,9-13H2,1H3,(H,22,23,24)
InChIKeyGGJOROYWDIZTQG-UHFFFAOYSA-N
XLogP2.99
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-[[5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112945813
ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]benzoate
CID 112962832
ethyl 4-[[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112942609
ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
CID 112956940
ethyl 4-[[3-(cyclopropylamino)-1,2,4-triazin-5-yl]amino]piperidine-1-carboxylate
CID 112939342
ethyl 4-[[5-(2-methylanilino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112956941
ethyl 4-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]piperazine-1-carboxylate
CID 112923366
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112959687
ethyl 4-[[6-(2,3-dihydroindol-1-yl)pyridine-3-carbonyl]amino]piperidine-1-carboxylate
CID 109160228
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112950932
ethyl 4-[[5-(2-methoxyethylamino)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112943340
5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938585

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate (CID 112956946) is ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nncc(N3CCCc4ccccc43)n2)CC1.
What is the InChIKey of ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate?
The InChIKey is GGJOROYWDIZTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-2-28-20(27)25-12-9-16(10-13-25)22-19-23-18(14-21-24-19)26-11-5-7-15-6-3-4-8-17(15)26/h3-4,6,8,14,16H,2,5,7,9-13H2,1H3,(H,22,23,24).
What are the key properties of ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate has a molecular weight of 382.47 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-(3,4-dihydro-2H-quinolin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 112956946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).