3-[4-(bromomethyl)phenoxy]quinoline

C16H12BrNO — CID 107387563

IUPAC3-[4-(bromomethyl)phenoxy]quinoline
SMILESBrCc1ccc(Oc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H12BrNO/c17-10-12-5-7-14(8-6-12)19-15-9-13-3-1-2-4-16(13)18-11-15/h1-9,11H,10H2
InChIKeySGUPMSAUSXURJK-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.92
Rot. Bonds3

About 3-[4-(bromomethyl)phenoxy]quinoline

3-[4-(bromomethyl)phenoxy]quinoline (PubChem CID 107387563) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is 3-[4-(bromomethyl)phenoxy]quinoline.

Molecular Properties

Compound Name3-[4-(bromomethyl)phenoxy]quinoline
PubChem CID107387563
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name3-[4-(bromomethyl)phenoxy]quinoline
SMILESBrCc1ccc(Oc2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H12BrNO/c17-10-12-5-7-14(8-6-12)19-15-9-13-3-1-2-4-16(13)18-11-15/h1-9,11H,10H2
InChIKeySGUPMSAUSXURJK-UHFFFAOYSA-N
XLogP4.92
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.92
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

2-(4-quinolin-3-yloxyphenyl)ethanamine
CID 107388035
3-(bromomethoxy)quinoline
CID 54277099
N-chloro-4-quinolin-3-yloxyaniline
CID 18511535
4-quinolin-3-yloxybenzenesulfinic acid
CID 57445519
4-quinolin-3-yloxybenzenecarbothioamide
CID 107387175
(2-quinolin-3-yloxypyrimidin-5-yl)methanamine
CID 107387604
(1R)-1-(5-quinolin-3-yloxy-2-pyridinyl)propan-1-ol
CID 107387500
(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine
CID 107387617
3-methylsulfanyloxyquinoline
CID 174462861
N-methyl-1-(2-methyl-4-quinolin-3-yloxyphenyl)methanamine
CID 107387603
(3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol
CID 107387514

Frequently Asked Questions

What is the IUPAC name of 3-[4-(bromomethyl)phenoxy]quinoline?
The IUPAC name of 3-[4-(bromomethyl)phenoxy]quinoline (CID 107387563) is 3-[4-(bromomethyl)phenoxy]quinoline.
What is the SMILES notation for 3-[4-(bromomethyl)phenoxy]quinoline?
The canonical SMILES for 3-[4-(bromomethyl)phenoxy]quinoline is BrCc1ccc(Oc2cnc3ccccc3c2)cc1.
What is the InChIKey of 3-[4-(bromomethyl)phenoxy]quinoline?
The InChIKey is SGUPMSAUSXURJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c17-10-12-5-7-14(8-6-12)19-15-9-13-3-1-2-4-16(13)18-11-15/h1-9,11H,10H2.
What are the key properties of 3-[4-(bromomethyl)phenoxy]quinoline?
3-[4-(bromomethyl)phenoxy]quinoline has a molecular weight of 314.18 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(bromomethyl)phenoxy]quinoline is sourced from PubChem (CID 107387563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).