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

C18H15FN6 — CID 156536649

IUPAC5-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
SMILESNc1cc2c(cc1F)c(N1CCCc3ccccc31)nc1nncn12
InChIInChI=1S/C18H15FN6/c19-13-8-12-16(9-14(13)20)25-10-21-23-18(25)22-17(12)24-7-3-5-11-4-1-2-6-15(11)24/h1-2,4,6,8-10H,3,5,7,20H2
InChIKeyYCLGXPGZEITRJM-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.08
Rot. Bonds1

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

5-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine (PubChem CID 156536649) has the molecular formula C18H15FN6 and a molecular weight of 334.36 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
PubChem CID156536649
Molecular FormulaC18H15FN6
Molecular Weight334.36 g/mol
Exact Mass334.13
IUPAC Name5-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine
SMILESNc1cc2c(cc1F)c(N1CCCc3ccccc31)nc1nncn12
InChIInChI=1S/C18H15FN6/c19-13-8-12-16(9-14(13)20)25-10-21-23-18(25)22-17(12)24-7-3-5-11-4-1-2-6-15(11)24/h1-2,4,6,8-10H,3,5,7,20H2
InChIKeyYCLGXPGZEITRJM-UHFFFAOYSA-N
XLogP3.08
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.08
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 5-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
The IUPAC name of 5-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine (CID 156536649) is 5-(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-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
The canonical SMILES for 5-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine is Nc1cc2c(cc1F)c(N1CCCc3ccccc31)nc1nncn12.
What is the InChIKey of 5-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
The InChIKey is YCLGXPGZEITRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6/c19-13-8-12-16(9-14(13)20)25-10-21-23-18(25)22-17(12)24-7-3-5-11-4-1-2-6-15(11)24/h1-2,4,6,8-10H,3,5,7,20H2.
What are the key properties of 5-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine?
5-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine has a molecular weight of 334.36 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-8-amine is sourced from PubChem (CID 156536649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).