8-(3-imidazol-1-ylpropoxy)-2-methylquinoline

C16H17N3O — CID 75499778

IUPAC8-(3-imidazol-1-ylpropoxy)-2-methylquinoline
SMILESCc1ccc2cccc(OCCCn3ccnc3)c2n1
InChIInChI=1S/C16H17N3O/c1-13-6-7-14-4-2-5-15(16(14)18-13)20-11-3-9-19-10-8-17-12-19/h2,4-8,10,12H,3,9,11H2,1H3
InChIKeyLPZJEHBUXFDBDX-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.21
Rot. Bonds5

About 8-(3-imidazol-1-ylpropoxy)-2-methylquinoline

8-(3-imidazol-1-ylpropoxy)-2-methylquinoline (PubChem CID 75499778) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 8-(3-imidazol-1-ylpropoxy)-2-methylquinoline.

Molecular Properties

Compound Name8-(3-imidazol-1-ylpropoxy)-2-methylquinoline
PubChem CID75499778
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name8-(3-imidazol-1-ylpropoxy)-2-methylquinoline
SMILESCc1ccc2cccc(OCCCn3ccnc3)c2n1
InChIInChI=1S/C16H17N3O/c1-13-6-7-14-4-2-5-15(16(14)18-13)20-11-3-9-19-10-8-17-12-19/h2,4-8,10,12H,3,9,11H2,1H3
InChIKeyLPZJEHBUXFDBDX-UHFFFAOYSA-N
XLogP3.21
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(2-imidazol-1-ylethoxy)quinoline
CID 24849052
2-methyl-8-pent-4-ynoxyquinoline
CID 75395956
1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole
CID 2994656
2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline
CID 70709600
1-[3-(4-iodo-2-methylphenoxy)propyl]imidazole
CID 2995325
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
CID 2852343
2-(3-imidazol-1-ylpropoxy)benzaldehyde;hydrochloride
CID 75531575
4-(3-imidazol-1-ylpropoxy)-3-methylbenzenesulfonyl chloride
CID 82917400
2-(3-imidazol-1-ylpropoxy)-4-methylaniline
CID 54961228
8-[2-[2-(2-fluorophenoxy)ethoxy]ethoxy]-2-methylquinoline
CID 2184547
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
[4-(3-imidazol-1-ylpropoxy)-3-methylphenyl]boronic acid
CID 63216731

Frequently Asked Questions

What is the IUPAC name of 8-(3-imidazol-1-ylpropoxy)-2-methylquinoline?
The IUPAC name of 8-(3-imidazol-1-ylpropoxy)-2-methylquinoline (CID 75499778) is 8-(3-imidazol-1-ylpropoxy)-2-methylquinoline.
What is the SMILES notation for 8-(3-imidazol-1-ylpropoxy)-2-methylquinoline?
The canonical SMILES for 8-(3-imidazol-1-ylpropoxy)-2-methylquinoline is Cc1ccc2cccc(OCCCn3ccnc3)c2n1.
What is the InChIKey of 8-(3-imidazol-1-ylpropoxy)-2-methylquinoline?
The InChIKey is LPZJEHBUXFDBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-13-6-7-14-4-2-5-15(16(14)18-13)20-11-3-9-19-10-8-17-12-19/h2,4-8,10,12H,3,9,11H2,1H3.
What are the key properties of 8-(3-imidazol-1-ylpropoxy)-2-methylquinoline?
8-(3-imidazol-1-ylpropoxy)-2-methylquinoline has a molecular weight of 267.33 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-imidazol-1-ylpropoxy)-2-methylquinoline is sourced from PubChem (CID 75499778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).