4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline

C21H21FN4O — CID 122423892

IUPAC4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline
SMILESCCOC1C=C(c2ccc(F)cc2)N(CCn2cncn2)c2ccccc21
InChIInChI=1S/C21H21FN4O/c1-2-27-21-13-20(16-7-9-17(22)10-8-16)26(12-11-25-15-23-14-24-25)19-6-4-3-5-18(19)21/h3-10,13-15,21H,2,11-12H2,1H3
InChIKeyRRAYXWCTQVUQNC-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.06
Rot. Bonds6

About 4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline

4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline (PubChem CID 122423892) has the molecular formula C21H21FN4O and a molecular weight of 364.42 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline
PubChem CID122423892
Molecular FormulaC21H21FN4O
Molecular Weight364.42 g/mol
Exact Mass364.17
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline
SMILESCCOC1C=C(c2ccc(F)cc2)N(CCn2cncn2)c2ccccc21
InChIInChI=1S/C21H21FN4O/c1-2-27-21-13-20(16-7-9-17(22)10-8-16)26(12-11-25-15-23-14-24-25)19-6-4-3-5-18(19)21/h3-10,13-15,21H,2,11-12H2,1H3
InChIKeyRRAYXWCTQVUQNC-UHFFFAOYSA-N
XLogP4.06
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline (CID 122423892) is 4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline is CCOC1C=C(c2ccc(F)cc2)N(CCn2cncn2)c2ccccc21.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline?
The InChIKey is RRAYXWCTQVUQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O/c1-2-27-21-13-20(16-7-9-17(22)10-8-16)26(12-11-25-15-23-14-24-25)19-6-4-3-5-18(19)21/h3-10,13-15,21H,2,11-12H2,1H3.
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline?
4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline has a molecular weight of 364.42 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline is sourced from PubChem (CID 122423892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).