5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline

C18H16BrNO3 — CID 145139401

IUPAC5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline
SMILESCOCCOc1ccc(Oc2cccc3ncccc23)c(Br)c1
InChIInChI=1S/C18H16BrNO3/c1-21-10-11-22-13-7-8-18(15(19)12-13)23-17-6-2-5-16-14(17)4-3-9-20-16/h2-9,12H,10-11H2,1H3
InChIKeyOBNQFBHRHGCRLC-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.81
Rot. Bonds6

About 5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline

5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline (PubChem CID 145139401) has the molecular formula C18H16BrNO3 and a molecular weight of 374.23 g/mol. Its IUPAC name is 5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline.

Molecular Properties

Compound Name5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline
PubChem CID145139401
Molecular FormulaC18H16BrNO3
Molecular Weight374.23 g/mol
Exact Mass373.03
IUPAC Name5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline
SMILESCOCCOc1ccc(Oc2cccc3ncccc23)c(Br)c1
InChIInChI=1S/C18H16BrNO3/c1-21-10-11-22-13-7-8-18(15(19)12-13)23-17-6-2-5-16-14(17)4-3-9-20-16/h2-9,12H,10-11H2,1H3
InChIKeyOBNQFBHRHGCRLC-UHFFFAOYSA-N
XLogP4.81
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.81
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

5-(4-methoxyphenoxy)quinoline
CID 122457274
(4-methoxy-2-quinolin-5-yloxyphenyl)methanamine
CID 103043786
2-methoxy-6-quinolin-5-yloxyaniline
CID 103043894
4-(2-quinolin-5-yloxyethoxy)aniline
CID 103044211
2-bromo-4-quinolin-5-yloxybenzenecarboximidamide
CID 107279689
4-bromo-2-quinolin-5-yloxyaniline
CID 103044042
2-bromo-3-[2-(4-methoxyphenoxy)ethoxy]pyridine
CID 62047657
3-bromo-4-methoxy-N-(quinolin-5-ylcarbamothioyl)benzamide
CID 4027215
4-(2-bromo-4-methoxyphenoxy)cinnoline
CID 104707553
5-pyridin-4-yloxyquinoline
CID 91445201
1-(5-fluoro-2-quinolin-5-yloxyphenyl)-N-methylmethanamine
CID 103045289
5-[(2,6-dichloro-4-pyridinyl)oxy]quinoline
CID 151981623

Frequently Asked Questions

What is the IUPAC name of 5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline?
The IUPAC name of 5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline (CID 145139401) is 5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline.
What is the SMILES notation for 5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline?
The canonical SMILES for 5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline is COCCOc1ccc(Oc2cccc3ncccc23)c(Br)c1.
What is the InChIKey of 5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline?
The InChIKey is OBNQFBHRHGCRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO3/c1-21-10-11-22-13-7-8-18(15(19)12-13)23-17-6-2-5-16-14(17)4-3-9-20-16/h2-9,12H,10-11H2,1H3.
What are the key properties of 5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline?
5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline has a molecular weight of 374.23 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-bromo-4-(2-methoxyethoxy)phenoxy]quinoline is sourced from PubChem (CID 145139401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).