2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine

C20H15N5 — CID 70117282

IUPAC2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESc1ccc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1
InChIInChI=1S/C20H15N5/c1-2-6-17-14(4-1)7-8-15(22-17)9-10-19-23-20-16-5-3-12-21-18(16)11-13-25(20)24-19/h1-8,11-13H,9-10H2
InChIKeyHLMTWDXAIDLDTK-UHFFFAOYSA-N
MW325.38 g/mol
LogP3.61
Rot. Bonds3

About 2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine

2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (PubChem CID 70117282) has the molecular formula C20H15N5 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.

Molecular Properties

Compound Name2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
PubChem CID70117282
Molecular FormulaC20H15N5
Molecular Weight325.38 g/mol
Exact Mass325.13
IUPAC Name2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine
SMILESc1ccc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1
InChIInChI=1S/C20H15N5/c1-2-6-17-14(4-1)7-8-15(22-17)9-10-19-23-20-16-5-3-12-21-18(16)11-13-25(20)24-19/h1-8,11-13H,9-10H2
InChIKeyHLMTWDXAIDLDTK-UHFFFAOYSA-N
XLogP3.61
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The IUPAC name of 2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine (CID 70117282) is 2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine.
What is the SMILES notation for 2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The canonical SMILES for 2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is c1ccc2nc(CCc3nc4c5cccnc5ccn4n3)ccc2c1.
What is the InChIKey of 2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
The InChIKey is HLMTWDXAIDLDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5/c1-2-6-17-14(4-1)7-8-15(22-17)9-10-19-23-20-16-5-3-12-21-18(16)11-13-25(20)24-19/h1-8,11-13H,9-10H2.
What are the key properties of 2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine?
2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine has a molecular weight of 325.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-quinolin-2-ylethyl)-[1,2,4]triazolo[5,1-f][1,6]naphthyridine is sourced from PubChem (CID 70117282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).