5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine

C21H19FN6 — CID 156536981

IUPAC5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
SMILESNc1cc2c(cc1F)c(N1CCCc3c(C4CC4)cccc31)nc1nncn12
InChIInChI=1S/C21H19FN6/c22-16-9-15-19(10-17(16)23)28-11-24-26-21(28)25-20(15)27-8-2-4-14-13(12-6-7-12)3-1-5-18(14)27/h1,3,5,9-12H,2,4,6-8,23H2
InChIKeyLJCQBYLLVFVWGV-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.96
Rot. Bonds2

About 5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine

5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine (PubChem CID 156536981) has the molecular formula C21H19FN6 and a molecular weight of 374.42 g/mol. Its IUPAC name is 5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine.

Molecular Properties

Compound Name5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
PubChem CID156536981
Molecular FormulaC21H19FN6
Molecular Weight374.42 g/mol
Exact Mass374.17
IUPAC Name5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
SMILESNc1cc2c(cc1F)c(N1CCCc3c(C4CC4)cccc31)nc1nncn12
InChIInChI=1S/C21H19FN6/c22-16-9-15-19(10-17(16)23)28-11-24-26-21(28)25-20(15)27-8-2-4-14-13(12-6-7-12)3-1-5-18(14)27/h1,3,5,9-12H,2,4,6-8,23H2
InChIKeyLJCQBYLLVFVWGV-UHFFFAOYSA-N
XLogP3.96
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
The IUPAC name of 5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine (CID 156536981) is 5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine.
What is the SMILES notation for 5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
The canonical SMILES for 5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine is Nc1cc2c(cc1F)c(N1CCCc3c(C4CC4)cccc31)nc1nncn12.
What is the InChIKey of 5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
The InChIKey is LJCQBYLLVFVWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6/c22-16-9-15-19(10-17(16)23)28-11-24-26-21(28)25-20(15)27-8-2-4-14-13(12-6-7-12)3-1-5-18(14)27/h1,3,5,9-12H,2,4,6-8,23H2.
What are the key properties of 5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine has a molecular weight of 374.42 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine is sourced from PubChem (CID 156536981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).