2-(4-bromophenoxy)-N-quinolin-8-ylacetamide

C17H13BrN2O2 — CID 1254573

IUPAC2-(4-bromophenoxy)-N-quinolin-8-ylacetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C17H13BrN2O2/c18-13-6-8-14(9-7-13)22-11-16(21)20-15-5-1-3-12-4-2-10-19-17(12)15/h1-10H,11H2,(H,20,21)
InChIKeyPALOFXPGCCVLEH-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.01
Rot. Bonds4

About 2-(4-bromophenoxy)-N-quinolin-8-ylacetamide

2-(4-bromophenoxy)-N-quinolin-8-ylacetamide (PubChem CID 1254573) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-quinolin-8-ylacetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-quinolin-8-ylacetamide
PubChem CID1254573
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name2-(4-bromophenoxy)-N-quinolin-8-ylacetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1cccc2cccnc12
InChIInChI=1S/C17H13BrN2O2/c18-13-6-8-14(9-7-13)22-11-16(21)20-15-5-1-3-12-4-2-10-19-17(12)15/h1-10H,11H2,(H,20,21)
InChIKeyPALOFXPGCCVLEH-UHFFFAOYSA-N
XLogP4.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-quinolin-8-ylacetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-quinolin-8-ylacetamide (CID 1254573) is 2-(4-bromophenoxy)-N-quinolin-8-ylacetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-quinolin-8-ylacetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-quinolin-8-ylacetamide is O=C(COc1ccc(Br)cc1)Nc1cccc2cccnc12.
What is the InChIKey of 2-(4-bromophenoxy)-N-quinolin-8-ylacetamide?
The InChIKey is PALOFXPGCCVLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c18-13-6-8-14(9-7-13)22-11-16(21)20-15-5-1-3-12-4-2-10-19-17(12)15/h1-10H,11H2,(H,20,21).
What are the key properties of 2-(4-bromophenoxy)-N-quinolin-8-ylacetamide?
2-(4-bromophenoxy)-N-quinolin-8-ylacetamide has a molecular weight of 357.21 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-quinolin-8-ylacetamide is sourced from PubChem (CID 1254573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).