3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol

C20H20ClFN2O — CID 126531971

IUPAC3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol
SMILESCC(Nc1c(Cl)cnc2ccccc12)c1cc(CCCO)ccc1F
InChIInChI=1S/C20H20ClFN2O/c1-13(16-11-14(5-4-10-25)8-9-18(16)22)24-20-15-6-2-3-7-19(15)23-12-17(20)21/h2-3,6-9,11-13,25H,4-5,10H2,1H3,(H,23,24)
InChIKeyMAZXWTHASVJPTC-UHFFFAOYSA-N
MW358.84 g/mol
LogP5.13
Rot. Bonds6

About 3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol

3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol (PubChem CID 126531971) has the molecular formula C20H20ClFN2O and a molecular weight of 358.84 g/mol. Its IUPAC name is 3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol
PubChem CID126531971
Molecular FormulaC20H20ClFN2O
Molecular Weight358.84 g/mol
Exact Mass358.12
IUPAC Name3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol
SMILESCC(Nc1c(Cl)cnc2ccccc12)c1cc(CCCO)ccc1F
InChIInChI=1S/C20H20ClFN2O/c1-13(16-11-14(5-4-10-25)8-9-18(16)22)24-20-15-6-2-3-7-19(15)23-12-17(20)21/h2-3,6-9,11-13,25H,4-5,10H2,1H3,(H,23,24)
InChIKeyMAZXWTHASVJPTC-UHFFFAOYSA-N
XLogP5.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.84
LogP ≤ 55.13
H-Bond Donors ≤ 52
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
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-chloro-N-[(1R)-1-(2-fluoro-5-pyrimidin-5-ylphenyl)propyl]quinolin-4-amine
CID 126530980
1-[3-[(1R)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorophenyl]ethane-1,2-diol
CID 126530699
1-[4-[3-chloro-7-fluoro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]phenyl]-2-(methylamino)ethanol
CID 126532692
3-[3-[1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorophenyl]sulfonylpropanoic acid
CID 126531535
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-[(1R)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorobenzoic acid
CID 126531644
6-bromo-3-chloro-8-fluoro-N-[1-(2-fluorophenyl)ethyl]quinolin-4-amine
CID 126531927
[4-[5-[3-chloro-4-[[(1R)-1-(2-fluorophenyl)ethyl]amino]quinolin-6-yl]-2-pyridinyl]piperazin-2-yl]methanol
CID 126531981

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol?
The IUPAC name of 3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol (CID 126531971) is 3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol.
What is the SMILES notation for 3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol?
The canonical SMILES for 3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol is CC(Nc1c(Cl)cnc2ccccc12)c1cc(CCCO)ccc1F.
What is the InChIKey of 3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol?
The InChIKey is MAZXWTHASVJPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O/c1-13(16-11-14(5-4-10-25)8-9-18(16)22)24-20-15-6-2-3-7-19(15)23-12-17(20)21/h2-3,6-9,11-13,25H,4-5,10H2,1H3,(H,23,24).
What are the key properties of 3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol?
3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol has a molecular weight of 358.84 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol is sourced from PubChem (CID 126531971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).