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

C23H18ClFN2 — CID 126532026

IUPAC3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine
SMILESC[C@@H](Nc1c(Cl)cnc2ccccc12)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C23H18ClFN2/c1-15(27-23-18-9-5-6-10-22(18)26-14-20(23)24)19-13-17(11-12-21(19)25)16-7-3-2-4-8-16/h2-15H,1H3,(H,26,27)/t15-/m1/s1
InChIKeyMMTWBEDBNQFALX-OAHLLOKOSA-N
MW376.86 g/mol
LogP6.87
Rot. Bonds4

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

3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine (PubChem CID 126532026) has the molecular formula C23H18ClFN2 and a molecular weight of 376.86 g/mol. Its IUPAC name is 3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine
PubChem CID126532026
Molecular FormulaC23H18ClFN2
Molecular Weight376.86 g/mol
Exact Mass376.11
IUPAC Name3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine
SMILESC[C@@H](Nc1c(Cl)cnc2ccccc12)c1cc(-c2ccccc2)ccc1F
InChIInChI=1S/C23H18ClFN2/c1-15(27-23-18-9-5-6-10-22(18)26-14-20(23)24)19-13-17(11-12-21(19)25)16-7-3-2-4-8-16/h2-15H,1H3,(H,26,27)/t15-/m1/s1
InChIKeyMMTWBEDBNQFALX-OAHLLOKOSA-N
XLogP6.87
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.86
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-[1-(2-fluoro-5-pyridin-4-ylphenyl)ethyl]quinolin-4-amine
CID 126531696
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-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylquinolin-4-amine
CID 126531418
3-chloro-N-[1-(2-fluoro-5-pyrimidin-5-ylphenyl)ethyl]-6-(1-methylpyrazol-4-yl)quinolin-4-amine
CID 126532685
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-amino-3-[4-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]phenyl]cyclobutan-1-ol
CID 126531121
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-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-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine?
The IUPAC name of 3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine (CID 126532026) is 3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine.
What is the SMILES notation for 3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine?
The canonical SMILES for 3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine is C[C@@H](Nc1c(Cl)cnc2ccccc12)c1cc(-c2ccccc2)ccc1F.
What is the InChIKey of 3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine?
The InChIKey is MMTWBEDBNQFALX-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H18ClFN2/c1-15(27-23-18-9-5-6-10-22(18)26-14-20(23)24)19-13-17(11-12-21(19)25)16-7-3-2-4-8-16/h2-15H,1H3,(H,26,27)/t15-/m1/s1.
What are the key properties of 3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine?
3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine has a molecular weight of 376.86 g/mol, XLogP of 6.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1R)-1-(2-fluoro-5-phenylphenyl)ethyl]quinolin-4-amine is sourced from PubChem (CID 126532026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).