2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide

C19H19F3N4O2 — CID 47788928

IUPAC2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
SMILESCn1ccnc1C(O)(CCNC(=O)Cc1cccc2cccnc12)C(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-26-11-10-25-17(26)18(28,19(20,21)22)7-9-23-15(27)12-14-5-2-4-13-6-3-8-24-16(13)14/h2-6,8,10-11,28H,7,9,12H2,1H3,(H,23,27)
InChIKeyLKFVLRYXXSQAOA-UHFFFAOYSA-N
MW392.38 g/mol
LogP2.47
Rot. Bonds6

About 2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide

2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide (PubChem CID 47788928) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide.

Molecular Properties

Compound Name2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
PubChem CID47788928
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide
SMILESCn1ccnc1C(O)(CCNC(=O)Cc1cccc2cccnc12)C(F)(F)F
InChIInChI=1S/C19H19F3N4O2/c1-26-11-10-25-17(26)18(28,19(20,21)22)7-9-23-15(27)12-14-5-2-4-13-6-3-8-24-16(13)14/h2-6,8,10-11,28H,7,9,12H2,1H3,(H,23,27)
InChIKeyLKFVLRYXXSQAOA-UHFFFAOYSA-N
XLogP2.47
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
The IUPAC name of 2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide (CID 47788928) is 2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide.
What is the SMILES notation for 2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
The canonical SMILES for 2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide is Cn1ccnc1C(O)(CCNC(=O)Cc1cccc2cccnc12)C(F)(F)F.
What is the InChIKey of 2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
The InChIKey is LKFVLRYXXSQAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-26-11-10-25-17(26)18(28,19(20,21)22)7-9-23-15(27)12-14-5-2-4-13-6-3-8-24-16(13)14/h2-6,8,10-11,28H,7,9,12H2,1H3,(H,23,27).
What are the key properties of 2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide?
2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide has a molecular weight of 392.38 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-8-yl-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]acetamide is sourced from PubChem (CID 47788928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).