3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline

C20H25N5 — CID 133448836

IUPAC3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
SMILESCc1cc2ccccc2nc1N1CCCC(c2nncn2C(C)C)C1
InChIInChI=1S/C20H25N5/c1-14(2)25-13-21-23-20(25)17-8-6-10-24(12-17)19-15(3)11-16-7-4-5-9-18(16)22-19/h4-5,7,9,11,13-14,17H,6,8,10,12H2,1-3H3
InChIKeyMWNHXZDMIIKMEB-UHFFFAOYSA-N
MW335.46 g/mol
LogP4.10
Rot. Bonds3

About 3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline

3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline (PubChem CID 133448836) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
PubChem CID133448836
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
SMILESCc1cc2ccccc2nc1N1CCCC(c2nncn2C(C)C)C1
InChIInChI=1S/C20H25N5/c1-14(2)25-13-21-23-20(25)17-8-6-10-24(12-17)19-15(3)11-16-7-4-5-9-18(16)22-19/h4-5,7,9,11,13-14,17H,6,8,10,12H2,1-3H3
InChIKeyMWNHXZDMIIKMEB-UHFFFAOYSA-N
XLogP4.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine
CID 133448924
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
1-(2-methylsulfonylphenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 133448976
4-chloro-5-ethyl-2-methyl-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrimidine
CID 133448919
8-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133448951
8-fluoro-2-methyl-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133449020
3-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazine-2-carbonitrile
CID 97086014
2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline
CID 114682615
3-cyclobutyl-4-propan-2-yl-1,2,4-triazole
CID 115393971
3-fluoro-4-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]benzonitrile
CID 133448595
3-(4-fluorophenyl)-6-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridazine
CID 133448850
1-(4-iodo-2-nitrophenyl)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 133448933

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
The IUPAC name of 3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline (CID 133448836) is 3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline is Cc1cc2ccccc2nc1N1CCCC(c2nncn2C(C)C)C1.
What is the InChIKey of 3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
The InChIKey is MWNHXZDMIIKMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-14(2)25-13-21-23-20(25)17-8-6-10-24(12-17)19-15(3)11-16-7-4-5-9-18(16)22-19/h4-5,7,9,11,13-14,17H,6,8,10,12H2,1-3H3.
What are the key properties of 3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline has a molecular weight of 335.46 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 133448836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).