9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

C22H17FN4 — CID 66575817

IUPAC9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1nnc2n1-c1c(F)cc(-c3cncc(-c4ccccc4)c3)cc1CC2
InChIInChI=1S/C22H17FN4/c1-14-25-26-21-8-7-16-9-17(11-20(23)22(16)27(14)21)19-10-18(12-24-13-19)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3
InChIKeyJDGJGLSUDLIYIP-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.54
Rot. Bonds2

About 9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline

9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (PubChem CID 66575817) has the molecular formula C22H17FN4 and a molecular weight of 356.40 g/mol. Its IUPAC name is 9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.

Molecular Properties

Compound Name9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
PubChem CID66575817
Molecular FormulaC22H17FN4
Molecular Weight356.40 g/mol
Exact Mass356.14
IUPAC Name9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline
SMILESCc1nnc2n1-c1c(F)cc(-c3cncc(-c4ccccc4)c3)cc1CC2
InChIInChI=1S/C22H17FN4/c1-14-25-26-21-8-7-16-9-17(11-20(23)22(16)27(14)21)19-10-18(12-24-13-19)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3
InChIKeyJDGJGLSUDLIYIP-UHFFFAOYSA-N
XLogP4.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline with MolForge

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Related Compounds

1-[5-(9-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)-3-pyridinyl]ethanone
CID 66576932
4-(2-fluorophenyl)-3-methyl-5-phenyl-1,2,4-triazole
CID 50993662
9-[4-[5-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-3-pyridinyl]phenyl]-3,6-diphenylcarbazole
CID 59372075
6-[5-(3-methylphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
CID 163469318
6-[5-(3-fluoro-4-methoxyphenyl)-3-pyridinyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-11-thione
CID 58255674
9-[3-[5-(3-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]carbazole;3-[9-(3,5-diphenylphenyl)carbazol-3-yl]-9-phenylcarbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 159084333
5-methyl-1-(2,3,4,5,6-pentafluorophenyl)-3-phenyl-1,2,4-triazole
CID 24764267
3-phenyl-5-[10-(5-phenyl-3-pyridinyl)anthracen-9-yl]pyridine
CID 88908908
3-[3-[3-[3-phenyl-5-[3-[3-(5-pyridin-3-yl-3-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-5-pyridin-3-ylpyridine
CID 155116854
1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
CID 157014235
3-(5-methyl-3-pyridinyl)-7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridine
CID 168957903
6-(4-chlorophenyl)-10-fluoro-1-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine
CID 70979526

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The IUPAC name of 9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline (CID 66575817) is 9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline.
What is the SMILES notation for 9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The canonical SMILES for 9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is Cc1nnc2n1-c1c(F)cc(-c3cncc(-c4ccccc4)c3)cc1CC2.
What is the InChIKey of 9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
The InChIKey is JDGJGLSUDLIYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4/c1-14-25-26-21-8-7-16-9-17(11-20(23)22(16)27(14)21)19-10-18(12-24-13-19)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3.
What are the key properties of 9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline?
9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline has a molecular weight of 356.40 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-1-methyl-7-(5-phenyl-3-pyridinyl)-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinoline is sourced from PubChem (CID 66575817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).