2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide

C20H19BrN2O3 — CID 56535216

IUPAC2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)NCCCOc1cccc2cccnc12
InChIInChI=1S/C20H19BrN2O3/c21-16-7-9-17(10-8-16)26-14-19(24)22-12-3-13-25-18-6-1-4-15-5-2-11-23-20(15)18/h1-2,4-11H,3,12-14H2,(H,22,24)
InChIKeyPADKRTKKXDRZGD-UHFFFAOYSA-N
MW415.29 g/mol
LogP3.96
Rot. Bonds8

About 2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide

2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide (PubChem CID 56535216) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide
PubChem CID56535216
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Name2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide
SMILESO=C(COc1ccc(Br)cc1)NCCCOc1cccc2cccnc12
InChIInChI=1S/C20H19BrN2O3/c21-16-7-9-17(10-8-16)26-14-19(24)22-12-3-13-25-18-6-1-4-15-5-2-11-23-20(15)18/h1-2,4-11H,3,12-14H2,(H,22,24)
InChIKeyPADKRTKKXDRZGD-UHFFFAOYSA-N
XLogP3.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-quinolin-8-yloxypropyl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 56585798
N-(3-ethoxypropyl)-2-quinolin-8-yloxyacetamide
CID 71408811
8-[2-(4-bromophenoxy)ethoxy]quinoline
CID 2289161
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
2-(4-fluorophenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149228
1-butyl-3-(2-quinolin-8-yloxyethyl)urea
CID 112975943
4-fluoro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56543399
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
2-(4-methylphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 36644007
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
2-(4-ethoxyphenoxy)-N-(2-quinolin-8-ylethyl)acetamide
CID 18149201
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide (CID 56535216) is 2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide is O=C(COc1ccc(Br)cc1)NCCCOc1cccc2cccnc12.
What is the InChIKey of 2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide?
The InChIKey is PADKRTKKXDRZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c21-16-7-9-17(10-8-16)26-14-19(24)22-12-3-13-25-18-6-1-4-15-5-2-11-23-20(15)18/h1-2,4-11H,3,12-14H2,(H,22,24).
What are the key properties of 2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide?
2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide has a molecular weight of 415.29 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-(3-quinolin-8-yloxypropyl)acetamide is sourced from PubChem (CID 56535216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).