N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine

C37H26F13N5 — CID 162156278

About N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine

N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine (PubChem CID 162156278) has the molecular formula C37H26F13N5 and a molecular weight of 787.62 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine.

Molecular Properties

• Compound Name: N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine
• PubChem CID: 162156278
• Molecular Formula: C37H26F13N5
• Molecular Weight: 787.62 g/mol
• Exact Mass: 787.20
• IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine
• SMILES: CC(Nc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1ccc(F)cc1.FC(F)(F)c1cc(NCCc2ccccn2)c2cccc(C(F)(F)F)c2n1
• InChI: InChI=1S/C19H13F7N2.C18H13F6N3/c1-10(11-5-7-12(20)8-6-11)27-15-9-16(19(24,25)26)28-17-13(15)3-2-4-14(17)18(21,22)23;19-17(20,21)13-6-3-5-12-14(10-15(18(22,23)24)27-16(12)13)26-9-7-11-4-1-2-8-25-11/h2-10H,1H3,(H,27,28);1-6,8,10H,7,9H2,(H,26,27)
• InChIKey: ZLWDXKALFXTIFA-UHFFFAOYSA-N
• XLogP: 11.91
• TPSA: 62.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.62
LogP ≤ 5	11.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine?

The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine (CID 162156278) is N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine.

What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine?

The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine is CC(Nc1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)c1ccc(F)cc1.FC(F)(F)c1cc(NCCc2ccccn2)c2cccc(C(F)(F)F)c2n1.

What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine?

The InChIKey is ZLWDXKALFXTIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F7N2.C18H13F6N3/c1-10(11-5-7-12(20)8-6-11)27-15-9-16(19(24,25)26)28-17-13(15)3-2-4-14(17)18(21,22)23;19-17(20,21)13-6-3-5-12-14(10-15(18(22,23)24)27-16(12)13)26-9-7-11-4-1-2-8-25-11/h2-10H,1H3,(H,27,28);1-6,8,10H,7,9H2,(H,26,27).

What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine?

N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine has a molecular weight of 787.62 g/mol, XLogP of 11.91, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-fluorophenyl)ethyl]-2,8-bis(trifluoromethyl)quinolin-4-amine;N-(2-pyridin-2-ylethyl)-2,8-bis(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 162156278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).