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

C18H21N5 — CID 133401512

IUPAC2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
SMILESCCc1cc(N2CCCC(n3cncn3)C2)c2ccccc2n1
InChIInChI=1S/C18H21N5/c1-2-14-10-18(16-7-3-4-8-17(16)21-14)22-9-5-6-15(11-22)23-13-19-12-20-23/h3-4,7-8,10,12-13,15H,2,5-6,9,11H2,1H3
InChIKeyDGRXZSXHUITMTO-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.23
Rot. Bonds3

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

2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline (PubChem CID 133401512) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline.

Molecular Properties

Compound Name2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
PubChem CID133401512
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline
SMILESCCc1cc(N2CCCC(n3cncn3)C2)c2ccccc2n1
InChIInChI=1S/C18H21N5/c1-2-14-10-18(16-7-3-4-8-17(16)21-14)22-9-5-6-15(11-22)23-13-19-12-20-23/h3-4,7-8,10,12-13,15H,2,5-6,9,11H2,1H3
InChIKeyDGRXZSXHUITMTO-UHFFFAOYSA-N
XLogP3.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)quinoline
CID 133402710
4-(2-ethylquinolin-4-yl)thiomorpholine
CID 133400472
1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133402580
4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline
CID 133402712
(3R)-1-[(2S)-2-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 129358972
N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
CID 133402615
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
CID 90687074
(3R)-1-[(3R)-3-phenylbutyl]-3-(1,2,4-triazol-1-yl)piperidine
CID 129429411
2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol
CID 107228565
N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide
CID 133405148
6-methoxy-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]-2-(trifluoromethyl)quinazoline
CID 126797921
4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133401776

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline?
The IUPAC name of 2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline (CID 133401512) is 2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline.
What is the SMILES notation for 2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline?
The canonical SMILES for 2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline is CCc1cc(N2CCCC(n3cncn3)C2)c2ccccc2n1.
What is the InChIKey of 2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline?
The InChIKey is DGRXZSXHUITMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-14-10-18(16-7-3-4-8-17(16)21-14)22-9-5-6-15(11-22)23-13-19-12-20-23/h3-4,7-8,10,12-13,15H,2,5-6,9,11H2,1H3.
What are the key properties of 2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline?
2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline has a molecular weight of 307.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]quinoline is sourced from PubChem (CID 133401512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).