N-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine

C16H9F6N3 — CID 155513308

IUPACN-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccncc2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C16H9F6N3/c17-15(18,19)11-3-1-2-10-12(24-9-4-6-23-7-5-9)8-13(16(20,21)22)25-14(10)11/h1-8H,(H,23,24,25)
InChIKeyWQZSHPSNLYJVDC-UHFFFAOYSA-N
MW357.26 g/mol
LogP5.41
Rot. Bonds2

About N-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine

N-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine (PubChem CID 155513308) has the molecular formula C16H9F6N3 and a molecular weight of 357.26 g/mol. Its IUPAC name is N-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine
PubChem CID155513308
Molecular FormulaC16H9F6N3
Molecular Weight357.26 g/mol
Exact Mass357.07
IUPAC NameN-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1cc(Nc2ccncc2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C16H9F6N3/c17-15(18,19)11-3-1-2-10-12(24-9-4-6-23-7-5-9)8-13(16(20,21)22)25-14(10)11/h1-8H,(H,23,24,25)
InChIKeyWQZSHPSNLYJVDC-UHFFFAOYSA-N
XLogP5.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.26
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine (CID 155513308) is N-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1cc(Nc2ccncc2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of N-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine?
The InChIKey is WQZSHPSNLYJVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N3/c17-15(18,19)11-3-1-2-10-12(24-9-4-6-23-7-5-9)8-13(16(20,21)22)25-14(10)11/h1-8H,(H,23,24,25).
What are the key properties of N-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine?
N-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine has a molecular weight of 357.26 g/mol, XLogP of 5.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-4-yl-2,8-bis(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 155513308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).