N-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine

C17H11F6N3 — CID 16728102

IUPACN-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1cc(NCc2cccnc2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C17H11F6N3/c18-16(19,20)12-5-1-4-11-13(25-9-10-3-2-6-24-8-10)7-14(17(21,22)23)26-15(11)12/h1-8H,9H2,(H,25,26)
InChIKeyYHLHMRPSJDNGEU-UHFFFAOYSA-N
MW371.28 g/mol
LogP5.28
Rot. Bonds3

About N-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine

N-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine (PubChem CID 16728102) has the molecular formula C17H11F6N3 and a molecular weight of 371.28 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine
PubChem CID16728102
Molecular FormulaC17H11F6N3
Molecular Weight371.28 g/mol
Exact Mass371.09
IUPAC NameN-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine
SMILESFC(F)(F)c1cc(NCc2cccnc2)c2cccc(C(F)(F)F)c2n1
InChIInChI=1S/C17H11F6N3/c18-16(19,20)12-5-1-4-11-13(25-9-10-3-2-6-24-8-10)7-14(17(21,22)23)26-15(11)12/h1-8H,9H2,(H,25,26)
InChIKeyYHLHMRPSJDNGEU-UHFFFAOYSA-N
XLogP5.28
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.28
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Methylquinoline
CID 11910
1,7-Phenanthroline
CID 67473
5-Aminoquinoline
CID 11911
Bis(3)-cognitin
CID 12069888
N-Methyl-9-acridinamine
CID 31503
4-Aminoquinoline
CID 68476
7-Aminoquinoline
CID 11377
9-Acridinamine, N-(phenylmethyl)-
CID 149800
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841
N-3-Pyridinyl-9-acridinamine
CID 53313
4-Piperazin-1-yl-quinoline
CID 1534386
Ucl1848
CID 9811445

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine?
The IUPAC name of N-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine (CID 16728102) is N-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine is FC(F)(F)c1cc(NCc2cccnc2)c2cccc(C(F)(F)F)c2n1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine?
The InChIKey is YHLHMRPSJDNGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F6N3/c18-16(19,20)12-5-1-4-11-13(25-9-10-3-2-6-24-8-10)7-14(17(21,22)23)26-15(11)12/h1-8H,9H2,(H,25,26).
What are the key properties of N-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine?
N-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine has a molecular weight of 371.28 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 16728102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).