N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine

C22H25N5O2 — CID 42198281

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(OC)c1-c1cnnc(NCCN2CCCc3ccccc32)n1
InChIInChI=1S/C22H25N5O2/c1-28-19-10-5-11-20(29-2)21(19)17-15-24-26-22(25-17)23-12-14-27-13-6-8-16-7-3-4-9-18(16)27/h3-5,7,9-11,15H,6,8,12-14H2,1-2H3,(H,23,25,26)
InChIKeyHCEUBYHJVFCYJJ-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.42
Rot. Bonds7

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine (PubChem CID 42198281) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine
PubChem CID42198281
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine
SMILESCOc1cccc(OC)c1-c1cnnc(NCCN2CCCc3ccccc32)n1
InChIInChI=1S/C22H25N5O2/c1-28-19-10-5-11-20(29-2)21(19)17-15-24-26-22(25-17)23-12-14-27-13-6-8-16-7-3-4-9-18(16)27/h3-5,7,9-11,15H,6,8,12-14H2,1-2H3,(H,23,25,26)
InChIKeyHCEUBYHJVFCYJJ-UHFFFAOYSA-N
XLogP3.42
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
5-(2,6-dimethoxyphenyl)-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
CID 42507959
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]-1,2,4-triazin-3-amine
CID 112950932
5-(2,6-dimethoxyphenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-triazin-3-amine
CID 26330376
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132655246
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethyl)ethanamine
CID 54806928
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2,3-dimethylaniline
CID 54807403
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-methoxyaniline
CID 54806693
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112959687
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]prop-2-yn-1-amine
CID 62574477
5-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)-1,2,4-triazin-3-amine
CID 112943561
tert-butyl N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]carbamate
CID 112757446

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine (CID 42198281) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine is COc1cccc(OC)c1-c1cnnc(NCCN2CCCc3ccccc32)n1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine?
The InChIKey is HCEUBYHJVFCYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-28-19-10-5-11-20(29-2)21(19)17-15-24-26-22(25-17)23-12-14-27-13-6-8-16-7-3-4-9-18(16)27/h3-5,7,9-11,15H,6,8,12-14H2,1-2H3,(H,23,25,26).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine has a molecular weight of 391.48 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 42198281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).