N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine

C22H17FN2O2 — CID 146295746

IUPACN-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine
SMILESCOc1ccc(Oc2ccc(Nc3ccc4ccccc4n3)cc2)c(F)c1
InChIInChI=1S/C22H17FN2O2/c1-26-18-11-12-21(19(23)14-18)27-17-9-7-16(8-10-17)24-22-13-6-15-4-2-3-5-20(15)25-22/h2-14H,1H3,(H,24,25)
InChIKeyKWJJQFRBEISMJJ-UHFFFAOYSA-N
MW360.39 g/mol
LogP5.92
Rot. Bonds5

About N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine

N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine (PubChem CID 146295746) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine.

Molecular Properties

Compound NameN-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine
PubChem CID146295746
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC NameN-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine
SMILESCOc1ccc(Oc2ccc(Nc3ccc4ccccc4n3)cc2)c(F)c1
InChIInChI=1S/C22H17FN2O2/c1-26-18-11-12-21(19(23)14-18)27-17-9-7-16(8-10-17)24-22-13-6-15-4-2-3-5-20(15)25-22/h2-14H,1H3,(H,24,25)
InChIKeyKWJJQFRBEISMJJ-UHFFFAOYSA-N
XLogP5.92
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.39
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-fluorophenoxy)phenyl]quinolin-2-amine
CID 146295745
N-(3,4-difluorophenyl)quinolin-2-amine
CID 82536877
N-(4-propan-2-yloxyphenyl)quinolin-2-amine
CID 82535846
N-(3,4,5-trimethoxyphenyl)quinolin-2-amine
CID 57393025
2-fluoro-1-(4-fluorophenoxy)-4-methoxybenzene
CID 174755555
N-(2-fluoro-4-methoxyphenyl)naphthalen-2-amine
CID 82536277
N-[4-[[3-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]phenyl]quinolin-2-amine
CID 46830612
3-fluoro-4-methoxy-N-(quinolin-2-ylmethyl)aniline
CID 43380780
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]quinolin-2-amine
CID 133274441
4-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-2-methylpyrimidine-4,6-diamine
CID 112877814
N-(2,5-difluorophenyl)quinolin-2-amine
CID 82536785
2-N-(3-fluoro-4-methoxyphenyl)-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 20826934

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine?
The IUPAC name of N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine (CID 146295746) is N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine.
What is the SMILES notation for N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine?
The canonical SMILES for N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine is COc1ccc(Oc2ccc(Nc3ccc4ccccc4n3)cc2)c(F)c1.
What is the InChIKey of N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine?
The InChIKey is KWJJQFRBEISMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c1-26-18-11-12-21(19(23)14-18)27-17-9-7-16(8-10-17)24-22-13-6-15-4-2-3-5-20(15)25-22/h2-14H,1H3,(H,24,25).
What are the key properties of N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine?
N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine has a molecular weight of 360.39 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluoro-4-methoxyphenoxy)phenyl]quinolin-2-amine is sourced from PubChem (CID 146295746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).