4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide

C18H15BrN2O2 — CID 113102147

IUPAC4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide
SMILESO=C(NCCOc1ccc2ncccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O2/c19-15-5-3-13(4-6-15)18(22)21-10-11-23-16-7-8-17-14(12-16)2-1-9-20-17/h1-9,12H,10-11H2,(H,21,22)
InChIKeyDZWKVRKFDJSHAB-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.81
Rot. Bonds5

About 4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide

4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide (PubChem CID 113102147) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide
PubChem CID113102147
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide
SMILESO=C(NCCOc1ccc2ncccc2c1)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrN2O2/c19-15-5-3-13(4-6-15)18(22)21-10-11-23-16-7-8-17-14(12-16)2-1-9-20-17/h1-9,12H,10-11H2,(H,21,22)
InChIKeyDZWKVRKFDJSHAB-UHFFFAOYSA-N
XLogP3.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-quinolin-6-yloxyethyl)propanamide
CID 113102128
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
1-tert-butyl-3-(2-quinolin-6-yloxyethyl)urea
CID 112975832
N-(2-methoxyethyl)-2-quinolin-6-yloxyacetamide
CID 47453984
1-(4-fluorophenyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975869
2-(3,4-dimethoxyphenyl)-N-(2-quinolin-6-yloxyethyl)acetamide
CID 113102175
4-bromo-N-[3-[2-(3-bromophenoxy)ethylamino]-3-oxopropyl]benzamide
CID 60549507
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874
1-(2-quinolin-6-yloxyethyl)-3-(2,4,6-trimethylphenyl)urea
CID 112975863
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
1-(oxolan-2-ylmethyl)-3-(2-quinolin-6-yloxyethyl)urea
CID 112975777
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide?
The IUPAC name of 4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide (CID 113102147) is 4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide.
What is the SMILES notation for 4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide?
The canonical SMILES for 4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide is O=C(NCCOc1ccc2ncccc2c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide?
The InChIKey is DZWKVRKFDJSHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c19-15-5-3-13(4-6-15)18(22)21-10-11-23-16-7-8-17-14(12-16)2-1-9-20-17/h1-9,12H,10-11H2,(H,21,22).
What are the key properties of 4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide?
4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide has a molecular weight of 371.23 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-quinolin-6-yloxyethyl)benzamide is sourced from PubChem (CID 113102147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).