N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

C25H34N8O2 — CID 177144404

IUPACN-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
SMILESCN1C(=O)CCc2cc(-c3cnnc(N4CCN(CC(=O)NC5CCC(N)CC5)CC4)n3)ccc21
InChIInChI=1S/C25H34N8O2/c1-31-22-8-2-17(14-18(22)3-9-24(31)35)21-15-27-30-25(29-21)33-12-10-32(11-13-33)16-23(34)28-20-6-4-19(26)5-7-20/h2,8,14-15,19-20H,3-7,9-13,16,26H2,1H3,(H,28,34)
InChIKeyOLUSQVJVZUJRNN-UHFFFAOYSA-N
MW478.60 g/mol
LogP0.96
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide (PubChem CID 177144404) has the molecular formula C25H34N8O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
PubChem CID177144404
Molecular FormulaC25H34N8O2
Molecular Weight478.60 g/mol
Exact Mass478.28
IUPAC NameN-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide
SMILESCN1C(=O)CCc2cc(-c3cnnc(N4CCN(CC(=O)NC5CCC(N)CC5)CC4)n3)ccc21
InChIInChI=1S/C25H34N8O2/c1-31-22-8-2-17(14-18(22)3-9-24(31)35)21-15-27-30-25(29-21)33-12-10-32(11-13-33)16-23(34)28-20-6-4-19(26)5-7-20/h2,8,14-15,19-20H,3-7,9-13,16,26H2,1H3,(H,28,34)
InChIKeyOLUSQVJVZUJRNN-UHFFFAOYSA-N
XLogP0.96
TPSA120.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide (CID 177144404) is N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide is CN1C(=O)CCc2cc(-c3cnnc(N4CCN(CC(=O)NC5CCC(N)CC5)CC4)n3)ccc21.
What is the InChIKey of N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
The InChIKey is OLUSQVJVZUJRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O2/c1-31-22-8-2-17(14-18(22)3-9-24(31)35)21-15-27-30-25(29-21)33-12-10-32(11-13-33)16-23(34)28-20-6-4-19(26)5-7-20/h2,8,14-15,19-20H,3-7,9-13,16,26H2,1H3,(H,28,34).
What are the key properties of N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide?
N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide has a molecular weight of 478.60 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-[4-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 177144404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).