methyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate

C21H14N4O2 — CID 631924

IUPACmethyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2nc3ccc4ccccc4n3n2)nc2ccccc12
InChIInChI=1S/C21H14N4O2/c1-27-21(26)15-12-17(22-16-8-4-3-7-14(15)16)20-23-19-11-10-13-6-2-5-9-18(13)25(19)24-20/h2-12H,1H3
InChIKeyBEWPXCOBPPYLPY-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.88
Rot. Bonds2

About methyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate

methyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate (PubChem CID 631924) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is methyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate
PubChem CID631924
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Namemethyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2nc3ccc4ccccc4n3n2)nc2ccccc12
InChIInChI=1S/C21H14N4O2/c1-27-21(26)15-12-17(22-16-8-4-3-7-14(15)16)20-23-19-11-10-13-6-2-5-9-18(13)25(19)24-20/h2-12H,1H3
InChIKeyBEWPXCOBPPYLPY-UHFFFAOYSA-N
XLogP3.88
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate?
The IUPAC name of methyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate (CID 631924) is methyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate?
The canonical SMILES for methyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate is COC(=O)c1cc(-c2nc3ccc4ccccc4n3n2)nc2ccccc12.
What is the InChIKey of methyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate?
The InChIKey is BEWPXCOBPPYLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c1-27-21(26)15-12-17(22-16-8-4-3-7-14(15)16)20-23-19-11-10-13-6-2-5-9-18(13)25(19)24-20/h2-12H,1H3.
What are the key properties of methyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate?
methyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate has a molecular weight of 354.37 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-([1,2,4]triazolo[1,5-a]quinolin-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 631924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).