6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine

C21H14F3N3O — CID 126751996

IUPAC6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine
SMILESNc1ccnc2ccc(-c3cccnc3-c3cccc(OC(F)(F)F)c3)cc12
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)28-15-4-1-3-14(11-15)20-16(5-2-9-27-20)13-6-7-19-17(12-13)18(25)8-10-26-19/h1-12H,(H2,25,26)
InChIKeyJNJHSUBIMKWHHY-UHFFFAOYSA-N
MW381.36 g/mol
LogP5.44
Rot. Bonds3

About 6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine

6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine (PubChem CID 126751996) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is 6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine.

Molecular Properties

Compound Name6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine
PubChem CID126751996
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine
SMILESNc1ccnc2ccc(-c3cccnc3-c3cccc(OC(F)(F)F)c3)cc12
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)28-15-4-1-3-14(11-15)20-16(5-2-9-27-20)13-6-7-19-17(12-13)18(25)8-10-26-19/h1-12H,(H2,25,26)
InChIKeyJNJHSUBIMKWHHY-UHFFFAOYSA-N
XLogP5.44
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine?
The IUPAC name of 6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine (CID 126751996) is 6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine.
What is the SMILES notation for 6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine?
The canonical SMILES for 6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine is Nc1ccnc2ccc(-c3cccnc3-c3cccc(OC(F)(F)F)c3)cc12.
What is the InChIKey of 6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine?
The InChIKey is JNJHSUBIMKWHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c22-21(23,24)28-15-4-1-3-14(11-15)20-16(5-2-9-27-20)13-6-7-19-17(12-13)18(25)8-10-26-19/h1-12H,(H2,25,26).
What are the key properties of 6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine?
6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine has a molecular weight of 381.36 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]quinolin-4-amine is sourced from PubChem (CID 126751996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).