N,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine

C24H27N5O2 — CID 142398441

IUPACN,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)cc1
InChIInChI=1S/C24H27N5O2/c1-28(2)11-14-31-20-6-3-17(4-7-20)19-5-8-21-22(15-19)29-23(16-25-21)26-27-24(29)18-9-12-30-13-10-18/h3-8,15-16,18H,9-14H2,1-2H3
InChIKeyZFCSHWLCMZAAJN-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.78
Rot. Bonds6

About N,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine

N,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine (PubChem CID 142398441) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine
PubChem CID142398441
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine
SMILESCN(C)CCOc1ccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)cc1
InChIInChI=1S/C24H27N5O2/c1-28(2)11-14-31-20-6-3-17(4-7-20)19-5-8-21-22(15-19)29-23(16-25-21)26-27-24(29)18-9-12-30-13-10-18/h3-8,15-16,18H,9-14H2,1-2H3
InChIKeyZFCSHWLCMZAAJN-UHFFFAOYSA-N
XLogP3.78
TPSA64.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-1-[4-[3-(oxan-4-yl)-2,4,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-yl]phenyl]piperidin-4-amine
CID 142398476
2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine
CID 11640057
3-[2-chloro-4-[1-[(3S)-3,4,5-trimethylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 170547725
3-[2-fluoro-4-[1-[(3S)-3,4,5-trimethylpiperazin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]-N,N-dimethylpropan-1-amine
CID 170547710
N,N-dimethyl-2-(4-morpholin-4-ylphenoxy)ethanamine
CID 82538142
8-[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]-3-methyl-1-(oxan-4-yl)imidazo[1,5-a]quinoxaline
CID 167652024
4-[2-(dimethylamino)ethoxy]-N-(oxolan-3-ylmethyl)aniline
CID 54863857
N-ethyl-N-methyl-3-[4-(oxan-4-yl)phenoxy]propan-1-amine
CID 141125876
N,N-dimethyl-2-(3-phenylphenoxy)ethanamine
CID 14105422
3-[4-[1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-methylimidazo[1,5-a]quinoxalin-8-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine
CID 167646470
8-[4-[3-(dimethylamino)propoxy]phenyl]-7-fluoro-3-methyl-4-(oxan-4-yl)-1H-imidazo[4,5-c]quinolin-2-one
CID 129104274
N,N-dimethyl-2-[4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethanamine
CID 155806119

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine (CID 142398441) is N,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine is CN(C)CCOc1ccc(-c2ccc3ncc4nnc(C5CCOCC5)n4c3c2)cc1.
What is the InChIKey of N,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine?
The InChIKey is ZFCSHWLCMZAAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-28(2)11-14-31-20-6-3-17(4-7-20)19-5-8-21-22(15-19)29-23(16-25-21)26-27-24(29)18-9-12-30-13-10-18/h3-8,15-16,18H,9-14H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine?
N,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine has a molecular weight of 417.51 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[1-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]phenoxy]ethanamine is sourced from PubChem (CID 142398441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).