4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide

C25H20FN5O2 — CID 122431385

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCc3ccc4ncnn4c3)ccc12
InChIInChI=1S/C25H20FN5O2/c1-2-33-23-12-21(17-4-7-19(26)8-5-17)30-22-11-18(6-9-20(22)23)25(32)27-13-16-3-10-24-28-15-29-31(24)14-16/h3-12,14-15H,2,13H2,1H3,(H,27,32)
InChIKeyRVEPMVLYXUPCRO-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.41
Rot. Bonds6

About 4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide

4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide (PubChem CID 122431385) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide
PubChem CID122431385
Molecular FormulaC25H20FN5O2
Molecular Weight441.47 g/mol
Exact Mass441.16
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCc3ccc4ncnn4c3)ccc12
InChIInChI=1S/C25H20FN5O2/c1-2-33-23-12-21(17-4-7-19(26)8-5-17)30-22-11-18(6-9-20(22)23)25(32)27-13-16-3-10-24-28-15-29-31(24)14-16/h3-12,14-15H,2,13H2,1H3,(H,27,32)
InChIKeyRVEPMVLYXUPCRO-UHFFFAOYSA-N
XLogP4.41
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide (CID 122431385) is 4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCc3ccc4ncnn4c3)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide?
The InChIKey is RVEPMVLYXUPCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN5O2/c1-2-33-23-12-21(17-4-7-19(26)8-5-17)30-22-11-18(6-9-20(22)23)25(32)27-13-16-3-10-24-28-15-29-31(24)14-16/h3-12,14-15H,2,13H2,1H3,(H,27,32).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-N-([1,2,4]triazolo[1,5-a]pyridin-6-ylmethyl)quinoline-7-carboxamide is sourced from PubChem (CID 122431385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).