2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline

C19H24N6O — CID 134067497

IUPAC2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline
SMILESCOc1cccc2ccc(-c3cn(CCC4C(C)NNC4C)nn3)nc12
InChIInChI=1S/C19H24N6O/c1-12-15(13(2)22-21-12)9-10-25-11-17(23-24-25)16-8-7-14-5-4-6-18(26-3)19(14)20-16/h4-8,11-13,15,21-22H,9-10H2,1-3H3
InChIKeyZQFZNDXHWUTXHP-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.39
Rot. Bonds5

About 2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline

2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline (PubChem CID 134067497) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline.

Molecular Properties

Compound Name2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline
PubChem CID134067497
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline
SMILESCOc1cccc2ccc(-c3cn(CCC4C(C)NNC4C)nn3)nc12
InChIInChI=1S/C19H24N6O/c1-12-15(13(2)22-21-12)9-10-25-11-17(23-24-25)16-8-7-14-5-4-6-18(26-3)19(14)20-16/h4-8,11-13,15,21-22H,9-10H2,1-3H3
InChIKeyZQFZNDXHWUTXHP-UHFFFAOYSA-N
XLogP2.39
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline
CID 70709600
2-[1-[(4-iodophenyl)methyl]triazol-4-yl]quinolin-8-ol
CID 134812903
2-fluoro-8-methoxyquinoline
CID 54155138
8-methoxy-4-[1-(1H-pyrazol-5-ylmethyl)triazol-4-yl]quinazolin-2-amine
CID 135382318
2-methyl-8-[2-[4-[(3R)-oxolan-3-yl]triazol-1-yl]ethoxy]quinoline
CID 97143559
N-[(8-methoxyquinolin-2-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106024171
8-methoxy-2-[1-(2-methylsulfonylethyl)imidazol-2-yl]quinoline
CID 56910045
2-[4-[(8-methoxyquinolin-2-yl)methyl]-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 45242441
8-methoxy-N-methylquinolin-2-amine
CID 57292538
4-[5-(8-methoxyquinolin-2-yl)-7-methylpyrazolo[4,5-b]pyridin-1-yl]butanamide
CID 170503416
2-bromo-6-(1-ethyltriazol-4-yl)pyridine
CID 118348737
1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione
CID 167764428

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline?
The IUPAC name of 2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline (CID 134067497) is 2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline.
What is the SMILES notation for 2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline?
The canonical SMILES for 2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline is COc1cccc2ccc(-c3cn(CCC4C(C)NNC4C)nn3)nc12.
What is the InChIKey of 2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline?
The InChIKey is ZQFZNDXHWUTXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-12-15(13(2)22-21-12)9-10-25-11-17(23-24-25)16-8-7-14-5-4-6-18(26-3)19(14)20-16/h4-8,11-13,15,21-22H,9-10H2,1-3H3.
What are the key properties of 2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline?
2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline has a molecular weight of 352.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline is sourced from PubChem (CID 134067497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).