3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine

C22H17ClFN3 — CID 126531696

IUPAC3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine
SMILESCC(Nc1c(Cl)cnc2ccccc12)c1cc(-c2ccncc2)ccc1F
InChIInChI=1S/C22H17ClFN3/c1-14(27-22-17-4-2-3-5-21(17)26-13-19(22)23)18-12-16(6-7-20(18)24)15-8-10-25-11-9-15/h2-14H,1H3,(H,26,27)
InChIKeyUWKAKHUNTPGXPM-UHFFFAOYSA-N
MW377.85 g/mol
LogP6.26
Rot. Bonds4

About 3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine

3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine (PubChem CID 126531696) has the molecular formula C22H17ClFN3 and a molecular weight of 377.85 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine
PubChem CID126531696
Molecular FormulaC22H17ClFN3
Molecular Weight377.85 g/mol
Exact Mass377.11
IUPAC Name3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine
SMILESCC(Nc1c(Cl)cnc2ccccc12)c1cc(-c2ccncc2)ccc1F
InChIInChI=1S/C22H17ClFN3/c1-14(27-22-17-4-2-3-5-21(17)26-13-19(22)23)18-12-16(6-7-20(18)24)15-8-10-25-11-9-15/h2-14H,1H3,(H,26,27)
InChIKeyUWKAKHUNTPGXPM-UHFFFAOYSA-N
XLogP6.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.85
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine
CID 126532026
2-[5-[3-[(1R)-1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]pyrimidin-2-yl]propan-2-ol
CID 126531760
3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine
CID 126531374
3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol
CID 126531971
3-chloro-N-[(1R)-1-(2-fluoro-5-pyrimidin-5-ylphenyl)propyl]quinolin-4-amine
CID 126530980
3-chloro-N-[1-(2-fluoro-5-pyrimidin-5-ylphenyl)ethyl]-6-(1-methylpyrazol-4-yl)quinolin-4-amine
CID 126532685
1-[3-[1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorophenyl]ethanone
CID 126532093
3-amino-3-[4-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]phenyl]cyclobutan-1-ol
CID 126531121
3-[(1R)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorobenzoic acid
CID 126531644
3-chloro-N-[1-[2-fluoro-5-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylquinolin-4-amine
CID 126531418
3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-6-(2-morpholin-4-ylpyrimidin-5-yl)quinolin-4-amine
CID 126532375
2-[5-[3-chloro-4-[[(1R)-1-(2-fluoro-5-methylsulfonylphenyl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol
CID 126531168

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine?
The IUPAC name of 3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine (CID 126531696) is 3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine.
What is the SMILES notation for 3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine?
The canonical SMILES for 3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine is CC(Nc1c(Cl)cnc2ccccc12)c1cc(-c2ccncc2)ccc1F.
What is the InChIKey of 3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine?
The InChIKey is UWKAKHUNTPGXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3/c1-14(27-22-17-4-2-3-5-21(17)26-13-19(22)23)18-12-16(6-7-20(18)24)15-8-10-25-11-9-15/h2-14H,1H3,(H,26,27).
What are the key properties of 3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine?
3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine has a molecular weight of 377.85 g/mol, XLogP of 6.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine is sourced from PubChem (CID 126531696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).