2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine

C16H14FN3 — CID 130408040

IUPAC2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine
SMILESNCCc1cc2cccc(F)c2nc1-c1ccccn1
InChIInChI=1S/C16H14FN3/c17-13-5-3-4-11-10-12(7-8-18)16(20-15(11)13)14-6-1-2-9-19-14/h1-6,9-10H,7-8,18H2
InChIKeyRJWCMQIAHJTGLR-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.94
Rot. Bonds3

About 2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine

2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine (PubChem CID 130408040) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine
PubChem CID130408040
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine
SMILESNCCc1cc2cccc(F)c2nc1-c1ccccn1
InChIInChI=1S/C16H14FN3/c17-13-5-3-4-11-10-12(7-8-18)16(20-15(11)13)14-6-1-2-9-19-14/h1-6,9-10H,7-8,18H2
InChIKeyRJWCMQIAHJTGLR-UHFFFAOYSA-N
XLogP2.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine?
The IUPAC name of 2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine (CID 130408040) is 2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine.
What is the SMILES notation for 2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine?
The canonical SMILES for 2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine is NCCc1cc2cccc(F)c2nc1-c1ccccn1.
What is the InChIKey of 2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine?
The InChIKey is RJWCMQIAHJTGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-13-5-3-4-11-10-12(7-8-18)16(20-15(11)13)14-6-1-2-9-19-14/h1-6,9-10H,7-8,18H2.
What are the key properties of 2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine?
2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine has a molecular weight of 267.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-2-pyridin-2-ylquinolin-3-yl)ethanamine is sourced from PubChem (CID 130408040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).