2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine

C26H25N5O — CID 46174558

IUPAC2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine
SMILESCC(C)(CN)COc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12
InChIInChI=1S/C26H25N5O/c1-26(2,16-27)17-32-22-10-6-9-19-11-13-21(28-24(19)22)25-30-29-23-14-12-20(15-31(23)25)18-7-4-3-5-8-18/h3-15H,16-17,27H2,1-2H3
InChIKeyLLCBENGUWIODIZ-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.98
Rot. Bonds6

About 2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine

2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine (PubChem CID 46174558) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine
PubChem CID46174558
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine
SMILESCC(C)(CN)COc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12
InChIInChI=1S/C26H25N5O/c1-26(2,16-27)17-32-22-10-6-9-19-11-13-21(28-24(19)22)25-30-29-23-14-12-20(15-31(23)25)18-7-4-3-5-8-18/h3-15H,16-17,27H2,1-2H3
InChIKeyLLCBENGUWIODIZ-UHFFFAOYSA-N
XLogP4.98
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine?
The IUPAC name of 2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine (CID 46174558) is 2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine.
What is the SMILES notation for 2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine?
The canonical SMILES for 2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine is CC(C)(CN)COc1cccc2ccc(-c3nnc4ccc(-c5ccccc5)cn34)nc12.
What is the InChIKey of 2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine?
The InChIKey is LLCBENGUWIODIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-26(2,16-27)17-32-22-10-6-9-19-11-13-21(28-24(19)22)25-30-29-23-14-12-20(15-31(23)25)18-7-4-3-5-8-18/h3-15H,16-17,27H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine?
2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine has a molecular weight of 423.52 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(6-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl]oxypropan-1-amine is sourced from PubChem (CID 46174558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).