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

C20H25N5 — CID 124883360

IUPAC2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
SMILESCCc1nc2ccccc2c(N2CCC[C@H](c3nncn3C)C2)c1C
InChIInChI=1S/C20H25N5/c1-4-17-14(2)19(16-9-5-6-10-18(16)22-17)25-11-7-8-15(12-25)20-23-21-13-24(20)3/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3/t15-/m0/s1
InChIKeyWLHHXZFFWDIXKZ-HNNXBMFYSA-N
MW335.46 g/mol
LogP3.62
Rot. Bonds3

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

2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline (PubChem CID 124883360) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
PubChem CID124883360
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
SMILESCCc1nc2ccccc2c(N2CCC[C@H](c3nncn3C)C2)c1C
InChIInChI=1S/C20H25N5/c1-4-17-14(2)19(16-9-5-6-10-18(16)22-17)25-11-7-8-15(12-25)20-23-21-13-24(20)3/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3/t15-/m0/s1
InChIKeyWLHHXZFFWDIXKZ-HNNXBMFYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline with MolForge

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Related Compounds

4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-phenylpyrimidine
CID 51108750
3-chloro-2-methyl-5-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[1,5-a]quinazoline
CID 43063325
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95860779
2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinazolin-4-amine
CID 133448924
2-[(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-benzoxazole
CID 97211645
(3S)-1-[(2S)-2-methyl-3-phenylpropyl]-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 129381784
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
3-methyl-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline
CID 133448836
2-methyl-4-[(3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 124885661
(3S)-1-(cyclopropylmethyl)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95821575
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 136544708
[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133438479

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
The IUPAC name of 2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline (CID 124883360) is 2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline is CCc1nc2ccccc2c(N2CCC[C@H](c3nncn3C)C2)c1C.
What is the InChIKey of 2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
The InChIKey is WLHHXZFFWDIXKZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N5/c1-4-17-14(2)19(16-9-5-6-10-18(16)22-17)25-11-7-8-15(12-25)20-23-21-13-24(20)3/h5-6,9-10,13,15H,4,7-8,11-12H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline?
2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline has a molecular weight of 335.46 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-4-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 124883360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).