N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine

C17H16FN3 — CID 104738216

IUPACN-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2n1)c1ccncc1F
InChIInChI=1S/C17H16FN3/c1-2-20-17(13-9-10-19-11-14(13)18)16-8-7-12-5-3-4-6-15(12)21-16/h3-11,17,20H,2H2,1H3
InChIKeyWPGLUJJMBNVSQM-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.47
Rot. Bonds4

About N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine

N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine (PubChem CID 104738216) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine
PubChem CID104738216
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC NameN-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine
SMILESCCNC(c1ccc2ccccc2n1)c1ccncc1F
InChIInChI=1S/C17H16FN3/c1-2-20-17(13-9-10-19-11-14(13)18)16-8-7-12-5-3-4-6-15(12)21-16/h3-11,17,20H,2H2,1H3
InChIKeyWPGLUJJMBNVSQM-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3-fluoro-4-pyridinyl)-pyrimidin-4-ylmethyl]ethanamine
CID 104738234
N-[(4-fluorophenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222518
N-[phenyl(quinolin-2-yl)methyl]ethanamine
CID 63222857
N-[(3-fluoro-4-pyridinyl)-(thiadiazol-4-yl)methyl]ethanamine
CID 105181971
N-[(4-chlorophenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222767
N-[(4-methylphenyl)-quinolin-2-ylmethyl]ethanamine
CID 63222559
N-[(3-fluoro-4-pyridinyl)-(3,4,5-trifluorophenyl)methyl]ethanamine
CID 104738170
N-[(3-fluoro-4-pyridinyl)-(1H-imidazol-2-yl)methyl]ethanamine
CID 104738570
N-[furan-2-yl(quinolin-2-yl)methyl]ethanamine
CID 63950003
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62500611
N-[(2-chloro-6-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]ethanamine
CID 105038137
N-[(3-fluoro-4-pyridinyl)-(2-iodophenyl)methyl]propan-1-amine
CID 105038095

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine (CID 104738216) is N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine is CCNC(c1ccc2ccccc2n1)c1ccncc1F.
What is the InChIKey of N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine?
The InChIKey is WPGLUJJMBNVSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-2-20-17(13-9-10-19-11-14(13)18)16-8-7-12-5-3-4-6-15(12)21-16/h3-11,17,20H,2H2,1H3.
What are the key properties of N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine?
N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine has a molecular weight of 281.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-pyridinyl)-quinolin-2-ylmethyl]ethanamine is sourced from PubChem (CID 104738216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).