3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine

C23H19ClFN3O — CID 126531374

IUPAC3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine
SMILESCOc1cncc(-c2ccc(F)c(C(C)Nc3c(Cl)cnc4ccccc34)c2)c1
InChIInChI=1S/C23H19ClFN3O/c1-14(28-23-18-5-3-4-6-22(18)27-13-20(23)24)19-10-15(7-8-21(19)25)16-9-17(29-2)12-26-11-16/h3-14H,1-2H3,(H,27,28)
InChIKeyUOZZVMWGIAGKGW-UHFFFAOYSA-N
MW407.88 g/mol
LogP6.27
Rot. Bonds5

About 3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine

3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine (PubChem CID 126531374) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is 3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine
PubChem CID126531374
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC Name3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine
SMILESCOc1cncc(-c2ccc(F)c(C(C)Nc3c(Cl)cnc4ccccc34)c2)c1
InChIInChI=1S/C23H19ClFN3O/c1-14(28-23-18-5-3-4-6-22(18)27-13-20(23)24)19-10-15(7-8-21(19)25)16-9-17(29-2)12-26-11-16/h3-14H,1-2H3,(H,27,28)
InChIKeyUOZZVMWGIAGKGW-UHFFFAOYSA-N
XLogP6.27
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[(1R)-1-(2-fluoro-5-pyrimidin-5-ylphenyl)propyl]quinolin-4-amine
CID 126530980
3-[3-[1-[(3-chloroquinolin-4-yl)amino]ethyl]-4-fluorophenyl]propan-1-ol
CID 126531971
3-chloro-N-[1-(2-fluoro-5-pyrimidin-5-ylphenyl)ethyl]-6-(1-methylpyrazol-4-yl)quinolin-4-amine
CID 126532685
3-chloro-N-[1-[2-fluoro-5-(1H-pyrazol-4-yl)phenyl]ethyl]-2-methylquinolin-4-amine
CID 126531418
3-[(1R)-1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorobenzoic acid
CID 126531644
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
3-amino-3-[4-[3-chloro-4-[1-(2-fluorophenyl)ethylamino]quinolin-6-yl]phenyl]cyclobutan-1-ol
CID 126531121
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-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine?
The IUPAC name of 3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine (CID 126531374) is 3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine.
What is the SMILES notation for 3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine?
The canonical SMILES for 3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine is COc1cncc(-c2ccc(F)c(C(C)Nc3c(Cl)cnc4ccccc34)c2)c1.
What is the InChIKey of 3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine?
The InChIKey is UOZZVMWGIAGKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c1-14(28-23-18-5-3-4-6-22(18)27-13-20(23)24)19-10-15(7-8-21(19)25)16-9-17(29-2)12-26-11-16/h3-14H,1-2H3,(H,27,28).
What are the key properties of 3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine?
3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine has a molecular weight of 407.88 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[2-fluoro-5-(5-methoxy-3-pyridinyl)phenyl]ethyl]quinolin-4-amine is sourced from PubChem (CID 126531374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).