5,7,8-trifluoro-2-propylquinolin-4-amine

C12H11F3N2 — CID 62812591

IUPAC5,7,8-trifluoro-2-propylquinolin-4-amine
SMILESCCCc1cc(N)c2c(F)cc(F)c(F)c2n1
InChIInChI=1S/C12H11F3N2/c1-2-3-6-4-9(16)10-7(13)5-8(14)11(15)12(10)17-6/h4-5H,2-3H2,1H3,(H2,16,17)
InChIKeyYRDXUQQEYFAEIS-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.19
Rot. Bonds2

About 5,7,8-trifluoro-2-propylquinolin-4-amine

5,7,8-trifluoro-2-propylquinolin-4-amine (PubChem CID 62812591) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 5,7,8-trifluoro-2-propylquinolin-4-amine.

Molecular Properties

Compound Name5,7,8-trifluoro-2-propylquinolin-4-amine
PubChem CID62812591
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name5,7,8-trifluoro-2-propylquinolin-4-amine
SMILESCCCc1cc(N)c2c(F)cc(F)c(F)c2n1
InChIInChI=1S/C12H11F3N2/c1-2-3-6-4-9(16)10-7(13)5-8(14)11(15)12(10)17-6/h4-5H,2-3H2,1H3,(H2,16,17)
InChIKeyYRDXUQQEYFAEIS-UHFFFAOYSA-N
XLogP3.19
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5,7,8-trifluoro-2-propylquinolin-4-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 5,7,8-trifluoro-2-propylquinolin-4-amine?
The IUPAC name of 5,7,8-trifluoro-2-propylquinolin-4-amine (CID 62812591) is 5,7,8-trifluoro-2-propylquinolin-4-amine.
What is the SMILES notation for 5,7,8-trifluoro-2-propylquinolin-4-amine?
The canonical SMILES for 5,7,8-trifluoro-2-propylquinolin-4-amine is CCCc1cc(N)c2c(F)cc(F)c(F)c2n1.
What is the InChIKey of 5,7,8-trifluoro-2-propylquinolin-4-amine?
The InChIKey is YRDXUQQEYFAEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-2-3-6-4-9(16)10-7(13)5-8(14)11(15)12(10)17-6/h4-5H,2-3H2,1H3,(H2,16,17).
What are the key properties of 5,7,8-trifluoro-2-propylquinolin-4-amine?
5,7,8-trifluoro-2-propylquinolin-4-amine has a molecular weight of 240.23 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,8-trifluoro-2-propylquinolin-4-amine is sourced from PubChem (CID 62812591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).