(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine

C18H16FN3O — CID 175408443

IUPAC(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc2nc(-c3ccncc3)ccc2c1
InChIInChI=1S/C18H16FN3O/c19-10-13(11-20)12-23-16-2-4-18-15(9-16)1-3-17(22-18)14-5-7-21-8-6-14/h1-10H,11-12,20H2/b13-10+
InChIKeyKRUNUWKHOYVNGC-JLHYYAGUSA-N
MW309.34 g/mol
LogP3.49
Rot. Bonds5

About (E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine

(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine (PubChem CID 175408443) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is (E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine
PubChem CID175408443
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine
SMILESNC/C(=C\F)COc1ccc2nc(-c3ccncc3)ccc2c1
InChIInChI=1S/C18H16FN3O/c19-10-13(11-20)12-23-16-2-4-18-15(9-16)1-3-17(22-18)14-5-7-21-8-6-14/h1-10H,11-12,20H2/b13-10+
InChIKeyKRUNUWKHOYVNGC-JLHYYAGUSA-N
XLogP3.49
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine (CID 175408443) is (E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine is NC/C(=C\F)COc1ccc2nc(-c3ccncc3)ccc2c1.
What is the InChIKey of (E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine?
The InChIKey is KRUNUWKHOYVNGC-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-10-13(11-20)12-23-16-2-4-18-15(9-16)1-3-17(22-18)14-5-7-21-8-6-14/h1-10H,11-12,20H2/b13-10+.
What are the key properties of (E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine?
(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine has a molecular weight of 309.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 175408443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).