7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

C17H14FN3O — CID 11500310

IUPAC7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESFc1ccc(COc2ccc3c(c2)CCc2nncn2-3)cc1
InChIInChI=1S/C17H14FN3O/c18-14-4-1-12(2-5-14)10-22-15-6-7-16-13(9-15)3-8-17-20-19-11-21(16)17/h1-2,4-7,9,11H,3,8,10H2
InChIKeyFGLCMARMFZVWNV-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.08
Rot. Bonds3

About 7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 11500310) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID11500310
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESFc1ccc(COc2ccc3c(c2)CCc2nncn2-3)cc1
InChIInChI=1S/C17H14FN3O/c18-14-4-1-12(2-5-14)10-22-15-6-7-16-13(9-15)3-8-17-20-19-11-21(16)17/h1-2,4-7,9,11H,3,8,10H2
InChIKeyFGLCMARMFZVWNV-UHFFFAOYSA-N
XLogP3.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3-Methoxyphenoxy)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-4-amine
CID 72714838
8-Pentyloxy-5,6-dihydro-4h-benzo[f][1,2,4]triazolo[4,3-a]azepine
CID 76315411
7-Benzyloxyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
CID 24849068
5-Phenylmethoxy-[1,2,4]triazolo[4,3-a]quinoline
CID 42598232
7-(4-Fluorobenzyloxy)-4,5-dihydrotetrazolo[1,5-a]quinoline
CID 71495546
7-Phenylmethoxy-4,5-dihydroimidazo[1,2-a]quinoline
CID 71574534
7-[(4-Fluorophenyl)methoxy]-4,5-dihydroimidazo[1,2-a]quinoline
CID 71574538
7-[(4-Methylphenyl)methoxy]-4,5-dihydroimidazo[1,2-a]quinoline
CID 71574631
7-Propoxy-4,5-dihydroimidazo[1,2-a]quinoline
CID 71574712
7-Butoxy-4,5-dihydroimidazo[1,2-a]quinoline
CID 71574713
7-Hexoxy-4,5-dihydroimidazo[1,2-a]quinoline
CID 71574715
7-Heptoxy-4,5-dihydroimidazo[1,2-a]quinoline
CID 71574716

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 11500310) is 7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is Fc1ccc(COc2ccc3c(c2)CCc2nncn2-3)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is FGLCMARMFZVWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-14-4-1-12(2-5-14)10-22-15-6-7-16-13(9-15)3-8-17-20-19-11-21(16)17/h1-2,4-7,9,11H,3,8,10H2.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 295.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 11500310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).