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

C18H14F2N6 — CID 156536573

IUPAC7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
SMILESNc1cc2c(cc1F)c(N1CCCc3ccc(F)cc31)nc1nncn12
InChIInChI=1S/C18H14F2N6/c19-11-4-3-10-2-1-5-25(15(10)6-11)17-12-7-13(20)14(21)8-16(12)26-9-22-24-18(26)23-17/h3-4,6-9H,1-2,5,21H2
InChIKeyZFYBUHLRXOVGKU-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.22
Rot. Bonds1

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

7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine (PubChem CID 156536573) has the molecular formula C18H14F2N6 and a molecular weight of 352.35 g/mol. Its IUPAC name is 7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine.

Molecular Properties

Compound Name7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
PubChem CID156536573
Molecular FormulaC18H14F2N6
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
SMILESNc1cc2c(cc1F)c(N1CCCc3ccc(F)cc31)nc1nncn12
InChIInChI=1S/C18H14F2N6/c19-11-4-3-10-2-1-5-25(15(10)6-11)17-12-7-13(20)14(21)8-16(12)26-9-22-24-18(26)23-17/h3-4,6-9H,1-2,5,21H2
InChIKeyZFYBUHLRXOVGKU-UHFFFAOYSA-N
XLogP3.22
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
The IUPAC name of 7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine (CID 156536573) is 7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine.
What is the SMILES notation for 7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
The canonical SMILES for 7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine is Nc1cc2c(cc1F)c(N1CCCc3ccc(F)cc31)nc1nncn12.
What is the InChIKey of 7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
The InChIKey is ZFYBUHLRXOVGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6/c19-11-4-3-10-2-1-5-25(15(10)6-11)17-12-7-13(20)14(21)8-16(12)26-9-22-24-18(26)23-17/h3-4,6-9H,1-2,5,21H2.
What are the key properties of 7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine has a molecular weight of 352.35 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(7-fluoro-3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinazolin-8-amine is sourced from PubChem (CID 156536573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).