azane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine

C21H18F2N4 — CID 69286039

IUPACazane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine
SMILESCc1ccc2nc(-c3ccccc3F)c(F)c(Nc3ccncc3)c2c1.N
InChIInChI=1S/C21H15F2N3.H3N/c1-13-6-7-18-16(12-13)21(25-14-8-10-24-11-9-14)19(23)20(26-18)15-4-2-3-5-17(15)22;/h2-12H,1H3,(H,24,25,26);1H3
InChIKeyWIVKBHPWKJSNLR-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.79
Rot. Bonds3

About azane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine

azane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine (PubChem CID 69286039) has the molecular formula C21H18F2N4 and a molecular weight of 364.40 g/mol. Its IUPAC name is azane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine.

Molecular Properties

Compound Nameazane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine
PubChem CID69286039
Molecular FormulaC21H18F2N4
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC Nameazane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine
SMILESCc1ccc2nc(-c3ccccc3F)c(F)c(Nc3ccncc3)c2c1.N
InChIInChI=1S/C21H15F2N3.H3N/c1-13-6-7-18-16(12-13)21(25-14-8-10-24-11-9-14)19(23)20(26-18)15-4-2-3-5-17(15)22;/h2-12H,1H3,(H,24,25,26);1H3
InChIKeyWIVKBHPWKJSNLR-UHFFFAOYSA-N
XLogP5.79
TPSA72.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of azane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine?
The IUPAC name of azane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine (CID 69286039) is azane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine.
What is the SMILES notation for azane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine?
The canonical SMILES for azane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine is Cc1ccc2nc(-c3ccccc3F)c(F)c(Nc3ccncc3)c2c1.N.
What is the InChIKey of azane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine?
The InChIKey is WIVKBHPWKJSNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3.H3N/c1-13-6-7-18-16(12-13)21(25-14-8-10-24-11-9-14)19(23)20(26-18)15-4-2-3-5-17(15)22;/h2-12H,1H3,(H,24,25,26);1H3.
What are the key properties of azane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine?
azane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine has a molecular weight of 364.40 g/mol, XLogP of 5.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-fluoro-2-(2-fluorophenyl)-6-methyl-N-pyridin-4-ylquinolin-4-amine is sourced from PubChem (CID 69286039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).