2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline

C18H18N6O — CID 70709600

IUPAC2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline
SMILESCOc1cccc2ccc(-c3cn(CCCn4ccnc4)nn3)nc12
InChIInChI=1S/C18H18N6O/c1-25-17-5-2-4-14-6-7-15(20-18(14)17)16-12-24(22-21-16)10-3-9-23-11-8-19-13-23/h2,4-8,11-13H,3,9-10H2,1H3
InChIKeyIDFAVZUMLTUXGK-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.79
Rot. Bonds6

About 2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline

2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline (PubChem CID 70709600) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline.

Molecular Properties

Compound Name2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline
PubChem CID70709600
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline
SMILESCOc1cccc2ccc(-c3cn(CCCn4ccnc4)nn3)nc12
InChIInChI=1S/C18H18N6O/c1-25-17-5-2-4-14-6-7-15(20-18(14)17)16-12-24(22-21-16)10-3-9-23-11-8-19-13-23/h2,4-8,11-13H,3,9-10H2,1H3
InChIKeyIDFAVZUMLTUXGK-UHFFFAOYSA-N
XLogP2.79
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[2-(3,5-dimethylpyrazolidin-4-yl)ethyl]triazol-4-yl]-8-methoxyquinoline
CID 134067497
8-(3-imidazol-1-ylpropoxy)-2-methylquinoline
CID 75499778
methyl 1-(3-imidazol-1-ylpropyl)triazole-4-carboxylate
CID 104601011
[1-(3-imidazol-1-ylpropyl)triazol-4-yl]methanamine
CID 62055653
8-(2-imidazol-1-ylethoxy)quinoline
CID 24849052
2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]acetic acid
CID 107461840
2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol
CID 25059136
1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
CID 69084097
N-(3-imidazol-1-ylpropyl)-2-(2-methoxyphenoxy)propanamide
CID 17200482
2-amino-N-(3-imidazol-1-ylpropyl)-6-methoxybenzamide
CID 81420626
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline?
The IUPAC name of 2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline (CID 70709600) is 2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline.
What is the SMILES notation for 2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline?
The canonical SMILES for 2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline is COc1cccc2ccc(-c3cn(CCCn4ccnc4)nn3)nc12.
What is the InChIKey of 2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline?
The InChIKey is IDFAVZUMLTUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-25-17-5-2-4-14-6-7-15(20-18(14)17)16-12-24(22-21-16)10-3-9-23-11-8-19-13-23/h2,4-8,11-13H,3,9-10H2,1H3.
What are the key properties of 2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline?
2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline has a molecular weight of 334.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline is sourced from PubChem (CID 70709600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).