(4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone

C25H19F4N3O — CID 71017523

IUPAC(4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(c2ccnc3ccc(C4=CN=C4C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H19F4N3O/c26-18-4-1-15(2-5-18)23(33)16-8-11-32(12-9-16)22-7-10-30-21-6-3-17(13-19(21)22)20-14-31-24(20)25(27,28)29/h1-7,10,13-14,16H,8-9,11-12H2
InChIKeyQFIAVSXFOKOGCB-UHFFFAOYSA-N
MW453.44 g/mol
LogP5.83
Rot. Bonds4

About (4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone

(4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone (PubChem CID 71017523) has the molecular formula C25H19F4N3O and a molecular weight of 453.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone
PubChem CID71017523
Molecular FormulaC25H19F4N3O
Molecular Weight453.44 g/mol
Exact Mass453.15
IUPAC Name(4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(c2ccnc3ccc(C4=CN=C4C(F)(F)F)cc23)CC1
InChIInChI=1S/C25H19F4N3O/c26-18-4-1-15(2-5-18)23(33)16-8-11-32(12-9-16)22-7-10-30-21-6-3-17(13-19(21)22)20-14-31-24(20)25(27,28)29/h1-7,10,13-14,16H,8-9,11-12H2
InChIKeyQFIAVSXFOKOGCB-UHFFFAOYSA-N
XLogP5.83
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.44
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone (CID 71017523) is (4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone is O=C(c1ccc(F)cc1)C1CCN(c2ccnc3ccc(C4=CN=C4C(F)(F)F)cc23)CC1.
What is the InChIKey of (4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone?
The InChIKey is QFIAVSXFOKOGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N3O/c26-18-4-1-15(2-5-18)23(33)16-8-11-32(12-9-16)22-7-10-30-21-6-3-17(13-19(21)22)20-14-31-24(20)25(27,28)29/h1-7,10,13-14,16H,8-9,11-12H2.
What are the key properties of (4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone?
(4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone has a molecular weight of 453.44 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[1-[6-[2-(trifluoromethyl)azet-3-yl]quinolin-4-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 71017523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).