bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline

C16H18BrNO — CID 174932520

IUPACbicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline
SMILESBrCOc1ccc2cccnc2c1.C1CC2CC2C1
InChIInChI=1S/C10H8BrNO.C6H10/c11-7-13-9-4-3-8-2-1-5-12-10(8)6-9;1-2-5-4-6(5)3-1/h1-6H,7H2;5-6H,1-4H2
InChIKeyDDBAVBREYYHWKB-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.77
Rot. Bonds2

About bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline

bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline (PubChem CID 174932520) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline.

Molecular Properties

Compound Namebicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline
PubChem CID174932520
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Namebicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline
SMILESBrCOc1ccc2cccnc2c1.C1CC2CC2C1
InChIInChI=1S/C10H8BrNO.C6H10/c11-7-13-9-4-3-8-2-1-5-12-10(8)6-9;1-2-5-4-6(5)3-1/h1-6H,7H2;5-6H,1-4H2
InChIKeyDDBAVBREYYHWKB-UHFFFAOYSA-N
XLogP4.77
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-quinolin-7-yloxyethyl)cyclohexanamine
CID 107315321
1-cyclopentyl-2-quinolin-7-yloxyethanamine
CID 107313426
7-(piperidin-2-ylmethoxy)quinoline
CID 107313771
7-(3-pyrrolidin-2-ylpropoxy)quinoline
CID 107313758
N-(4-quinolin-7-yloxybutyl)cyclopropanamine
CID 107314991
3-quinolin-7-yloxypropane-1-thiol
CID 107315768
N-propyl-3-quinolin-7-yloxycyclohexan-1-amine
CID 107313463
7-(2-bromoethoxy)quinoline;1,2-dibromoethane;quinolin-7-ol
CID 159602221
7-[2-(4-phenoxypiperidin-1-yl)ethoxy]quinoline
CID 134242877
7-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)quinoline
CID 107314478
3-quinolin-7-yloxypropanal
CID 107314214
6-quinolin-7-yloxyhexan-1-ol
CID 107705479

Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline?
The IUPAC name of bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline (CID 174932520) is bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline.
What is the SMILES notation for bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline?
The canonical SMILES for bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline is BrCOc1ccc2cccnc2c1.C1CC2CC2C1.
What is the InChIKey of bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline?
The InChIKey is DDBAVBREYYHWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO.C6H10/c11-7-13-9-4-3-8-2-1-5-12-10(8)6-9;1-2-5-4-6(5)3-1/h1-6H,7H2;5-6H,1-4H2.
What are the key properties of bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline?
bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline has a molecular weight of 320.23 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexane;7-(bromomethoxy)quinoline is sourced from PubChem (CID 174932520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).