[5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone

C23H18ClF2N5O2 — CID 77107795

IUPAC[5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H18ClF2N5O2/c24-16-6-7-19(31-27-10-11-28-31)17(13-16)22(32)30-12-9-23(25,26)20(14-30)33-21-8-5-15-3-1-2-4-18(15)29-21/h1-8,10-11,13,20H,9,12,14H2
InChIKeyJXMFFTDHKSQBHL-UHFFFAOYSA-N
MW469.88 g/mol
LogP4.40
Rot. Bonds4

About [5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone

[5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone (PubChem CID 77107795) has the molecular formula C23H18ClF2N5O2 and a molecular weight of 469.88 g/mol. Its IUPAC name is [5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone
PubChem CID77107795
Molecular FormulaC23H18ClF2N5O2
Molecular Weight469.88 g/mol
Exact Mass469.11
IUPAC Name[5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone
SMILESO=C(c1cc(Cl)ccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C23H18ClF2N5O2/c24-16-6-7-19(31-27-10-11-28-31)17(13-16)22(32)30-12-9-23(25,26)20(14-30)33-21-8-5-15-3-1-2-4-18(15)29-21/h1-8,10-11,13,20H,9,12,14H2
InChIKeyJXMFFTDHKSQBHL-UHFFFAOYSA-N
XLogP4.40
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.88
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone with MolForge

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Related Compounds

[(2R,5R)-5-isoquinolin-1-yloxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 45259003
[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212134
[(2R,5R)-5-(4-methoxyisoquinolin-1-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212296
[(2R,5R)-2-methyl-5-[4-(trifluoromethyl)pyridin-2-yl]oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 86291876
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 90298426
[5-(8-Chloroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 118726311
(2-Methyl-5-quinolin-8-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 46211807
(2-Methyl-5-quinolin-4-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 46211956
[5-(8-Fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 46212185
(2-Methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 46212539
[2-Methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 67380581
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(triazol-1-yl)phenyl]methanone
CID 77106400

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone?
The IUPAC name of [5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone (CID 77107795) is [5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone?
The canonical SMILES for [5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone is O=C(c1cc(Cl)ccc1-n1nccn1)N1CCC(F)(F)C(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of [5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone?
The InChIKey is JXMFFTDHKSQBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N5O2/c24-16-6-7-19(31-27-10-11-28-31)17(13-16)22(32)30-12-9-23(25,26)20(14-30)33-21-8-5-15-3-1-2-4-18(15)29-21/h1-8,10-11,13,20H,9,12,14H2.
What are the key properties of [5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone?
[5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone has a molecular weight of 469.88 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(triazol-2-yl)phenyl]-(4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl)methanone is sourced from PubChem (CID 77107795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).