5-(3-bromo-2-methylpropoxy)quinoline

C13H14BrNO — CID 103044584

IUPAC5-(3-bromo-2-methylpropoxy)quinoline
SMILESCC(CBr)COc1cccc2ncccc12
InChIInChI=1S/C13H14BrNO/c1-10(8-14)9-16-13-6-2-5-12-11(13)4-3-7-15-12/h2-7,10H,8-9H2,1H3
InChIKeySUBUXZPAUXLPSQ-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.64
Rot. Bonds4

About 5-(3-bromo-2-methylpropoxy)quinoline

5-(3-bromo-2-methylpropoxy)quinoline (PubChem CID 103044584) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is 5-(3-bromo-2-methylpropoxy)quinoline.

Molecular Properties

Compound Name5-(3-bromo-2-methylpropoxy)quinoline
PubChem CID103044584
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name5-(3-bromo-2-methylpropoxy)quinoline
SMILESCC(CBr)COc1cccc2ncccc12
InChIInChI=1S/C13H14BrNO/c1-10(8-14)9-16-13-6-2-5-12-11(13)4-3-7-15-12/h2-7,10H,8-9H2,1H3
InChIKeySUBUXZPAUXLPSQ-UHFFFAOYSA-N
XLogP3.64
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.64
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-dimethyl-3-quinolin-5-yloxypropan-1-amine
CID 103045300
N,3-dimethyl-1-quinolin-5-yloxypentan-2-amine
CID 103044444
N-ethyl-3-methyl-1-quinolin-5-yloxypentan-2-amine
CID 103044542
5-(5-chloro-3-methylpentoxy)quinoline
CID 103044594
3-methyl-N-propyl-1-quinolin-5-yloxybutan-2-amine
CID 103044506
5-(9-bromononoxy)quinoline
CID 103044601
1-cyclopentyl-2-quinolin-5-yloxyethanol
CID 103045508
1-cyclopropyl-2-quinolin-5-yloxyethanamine
CID 103044483
3-(methylamino)-4-quinolin-5-yloxybutan-1-ol
CID 103044503
N-propyl-1-quinolin-5-yloxypentan-2-amine
CID 103044496
5-(3,3-dimethylbutoxy)quinoline
CID 59667943
6-quinolin-5-yloxyhexane-1-thiol
CID 103046109

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-methylpropoxy)quinoline?
The IUPAC name of 5-(3-bromo-2-methylpropoxy)quinoline (CID 103044584) is 5-(3-bromo-2-methylpropoxy)quinoline.
What is the SMILES notation for 5-(3-bromo-2-methylpropoxy)quinoline?
The canonical SMILES for 5-(3-bromo-2-methylpropoxy)quinoline is CC(CBr)COc1cccc2ncccc12.
What is the InChIKey of 5-(3-bromo-2-methylpropoxy)quinoline?
The InChIKey is SUBUXZPAUXLPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c1-10(8-14)9-16-13-6-2-5-12-11(13)4-3-7-15-12/h2-7,10H,8-9H2,1H3.
What are the key properties of 5-(3-bromo-2-methylpropoxy)quinoline?
5-(3-bromo-2-methylpropoxy)quinoline has a molecular weight of 280.16 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-methylpropoxy)quinoline is sourced from PubChem (CID 103044584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).