(1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine

C22H18FN3 — CID 134427619

IUPAC(1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine
SMILESC[C@H](N)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccc1
InChIInChI=1S/C22H18FN3/c1-14(24)22-20(15-7-3-2-4-8-15)21(19-9-5-6-12-25-19)17-13-16(23)10-11-18(17)26-22/h2-14H,24H2,1H3/t14-/m0/s1
InChIKeyMYVACZQRXWCXAM-AWEZNQCLSA-N
MW343.41 g/mol
LogP5.12
Rot. Bonds3

About (1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine

(1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine (PubChem CID 134427619) has the molecular formula C22H18FN3 and a molecular weight of 343.41 g/mol. Its IUPAC name is (1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine
PubChem CID134427619
Molecular FormulaC22H18FN3
Molecular Weight343.41 g/mol
Exact Mass343.15
IUPAC Name(1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine
SMILESC[C@H](N)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccc1
InChIInChI=1S/C22H18FN3/c1-14(24)22-20(15-7-3-2-4-8-15)21(19-9-5-6-12-25-19)17-13-16(23)10-11-18(17)26-22/h2-14H,24H2,1H3/t14-/m0/s1
InChIKeyMYVACZQRXWCXAM-AWEZNQCLSA-N
XLogP5.12
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.41
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine?
The IUPAC name of (1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine (CID 134427619) is (1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine is C[C@H](N)c1nc2ccc(F)cc2c(-c2ccccn2)c1-c1ccccc1.
What is the InChIKey of (1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine?
The InChIKey is MYVACZQRXWCXAM-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H18FN3/c1-14(24)22-20(15-7-3-2-4-8-15)21(19-9-5-6-12-25-19)17-13-16(23)10-11-18(17)26-22/h2-14H,24H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine?
(1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine has a molecular weight of 343.41 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-fluoro-3-phenyl-4-pyridin-2-ylquinolin-2-yl)ethanamine is sourced from PubChem (CID 134427619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).