[2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

C21H19F3N2O2 — CID 24979849

IUPAC[2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(C(F)(F)F)C3)c3ccccc3n2)o1
InChIInChI=1S/C21H19F3N2O2/c1-13-8-9-19(28-13)18-11-16(15-6-2-3-7-17(15)25-18)20(27)26-10-4-5-14(12-26)21(22,23)24/h2-3,6-9,11,14H,4-5,10,12H2,1H3
InChIKeyVLTYNYSTJNKQEL-UHFFFAOYSA-N
MW388.39 g/mol
LogP5.22
Rot. Bonds2

About [2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone

[2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 24979849) has the molecular formula C21H19F3N2O2 and a molecular weight of 388.39 g/mol. Its IUPAC name is [2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID24979849
Molecular FormulaC21H19F3N2O2
Molecular Weight388.39 g/mol
Exact Mass388.14
IUPAC Name[2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCCC(C(F)(F)F)C3)c3ccccc3n2)o1
InChIInChI=1S/C21H19F3N2O2/c1-13-8-9-19(28-13)18-11-16(15-6-2-3-7-17(15)25-18)20(27)26-10-4-5-14(12-26)21(22,23)24/h2-3,6-9,11,14H,4-5,10,12H2,1H3
InChIKeyVLTYNYSTJNKQEL-UHFFFAOYSA-N
XLogP5.22
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 24979849) is [2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCCC(C(F)(F)F)C3)c3ccccc3n2)o1.
What is the InChIKey of [2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is VLTYNYSTJNKQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O2/c1-13-8-9-19(28-13)18-11-16(15-6-2-3-7-17(15)25-18)20(27)26-10-4-5-14(12-26)21(22,23)24/h2-3,6-9,11,14H,4-5,10,12H2,1H3.
What are the key properties of [2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone?
[2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 388.39 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylfuran-2-yl)quinolin-4-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 24979849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).