[5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol

C22H29N5O — CID 50960458

IUPAC[5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCc1ccc2nc(N3CCC(Cc4nnc(CO)n4C)CC3)cc(C)c2c1
InChIInChI=1S/C22H29N5O/c1-4-16-5-6-19-18(12-16)15(2)11-20(23-19)27-9-7-17(8-10-27)13-21-24-25-22(14-28)26(21)3/h5-6,11-12,17,28H,4,7-10,13-14H2,1-3H3
InChIKeyZBGPEHMHMUGIJP-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.19
Rot. Bonds5

About [5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol

[5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (PubChem CID 50960458) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is [5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
PubChem CID50960458
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC Name[5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
SMILESCCc1ccc2nc(N3CCC(Cc4nnc(CO)n4C)CC3)cc(C)c2c1
InChIInChI=1S/C22H29N5O/c1-4-16-5-6-19-18(12-16)15(2)11-20(23-19)27-9-7-17(8-10-27)13-21-24-25-22(14-28)26(21)3/h5-6,11-12,17,28H,4,7-10,13-14H2,1-3H3
InChIKeyZBGPEHMHMUGIJP-UHFFFAOYSA-N
XLogP3.19
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol (CID 50960458) is [5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol is CCc1ccc2nc(N3CCC(Cc4nnc(CO)n4C)CC3)cc(C)c2c1.
What is the InChIKey of [5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is ZBGPEHMHMUGIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-4-16-5-6-19-18(12-16)15(2)11-20(23-19)27-9-7-17(8-10-27)13-21-24-25-22(14-28)26(21)3/h5-6,11-12,17,28H,4,7-10,13-14H2,1-3H3.
What are the key properties of [5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol?
[5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 379.51 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[1-(6-ethyl-4-methylquinolin-2-yl)piperidin-4-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 50960458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).