3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine

C26H19FN4 — CID 129033216

IUPAC3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine
SMILESFc1c(-c2ccc3ncccc3c2)ccnc1NCc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C26H19FN4/c27-25-23(21-7-8-24-22(16-21)2-1-12-29-24)11-15-30-26(25)31-17-18-3-5-19(6-4-18)20-9-13-28-14-10-20/h1-16H,17H2,(H,30,31)
InChIKeyHAKJOUIXXJDJIX-UHFFFAOYSA-N
MW406.46 g/mol
LogP6.11
Rot. Bonds5

About 3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine

3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine (PubChem CID 129033216) has the molecular formula C26H19FN4 and a molecular weight of 406.46 g/mol. Its IUPAC name is 3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine
PubChem CID129033216
Molecular FormulaC26H19FN4
Molecular Weight406.46 g/mol
Exact Mass406.16
IUPAC Name3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine
SMILESFc1c(-c2ccc3ncccc3c2)ccnc1NCc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C26H19FN4/c27-25-23(21-7-8-24-22(16-21)2-1-12-29-24)11-15-30-26(25)31-17-18-3-5-19(6-4-18)20-9-13-28-14-10-20/h1-16H,17H2,(H,30,31)
InChIKeyHAKJOUIXXJDJIX-UHFFFAOYSA-N
XLogP6.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine?
The IUPAC name of 3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine (CID 129033216) is 3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine.
What is the SMILES notation for 3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine?
The canonical SMILES for 3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine is Fc1c(-c2ccc3ncccc3c2)ccnc1NCc1ccc(-c2ccncc2)cc1.
What is the InChIKey of 3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine?
The InChIKey is HAKJOUIXXJDJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4/c27-25-23(21-7-8-24-22(16-21)2-1-12-29-24)11-15-30-26(25)31-17-18-3-5-19(6-4-18)20-9-13-28-14-10-20/h1-16H,17H2,(H,30,31).
What are the key properties of 3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine?
3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine has a molecular weight of 406.46 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(4-pyridin-4-ylphenyl)methyl]-4-quinolin-6-ylpyridin-2-amine is sourced from PubChem (CID 129033216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).