[2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C25H25N5O2 — CID 67380581

IUPAC[2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1cc(OC2CCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc2n1
InChIInChI=1S/C25H25N5O2/c1-17-15-24(20-7-3-5-9-22(20)28-17)32-19-12-11-18(2)29(16-19)25(31)21-8-4-6-10-23(21)30-26-13-14-27-30/h3-10,13-15,18-19H,11-12,16H2,1-2H3
InChIKeyDSCYKMLLTNUFDH-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.20
Rot. Bonds4

About [2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 67380581) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is [2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID67380581
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name[2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCc1cc(OC2CCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc2n1
InChIInChI=1S/C25H25N5O2/c1-17-15-24(20-7-3-5-9-22(20)28-17)32-19-12-11-18(2)29(16-19)25(31)21-8-4-6-10-23(21)30-26-13-14-27-30/h3-10,13-15,18-19H,11-12,16H2,1-2H3
InChIKeyDSCYKMLLTNUFDH-UHFFFAOYSA-N
XLogP4.20
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 67380581) is [2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is Cc1cc(OC2CCC(C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc2n1.
What is the InChIKey of [2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is DSCYKMLLTNUFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-17-15-24(20-7-3-5-9-22(20)28-17)32-19-12-11-18(2)29(16-19)25(31)21-8-4-6-10-23(21)30-26-13-14-27-30/h3-10,13-15,18-19H,11-12,16H2,1-2H3.
What are the key properties of [2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 427.51 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-5-(2-methylquinolin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 67380581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).