3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide

C18H15BrN2O2 — CID 1018024

IUPAC3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1Br
InChIInChI=1S/C18H15BrN2O2/c1-2-23-17-9-8-12(11-14(17)19)18(22)21-16-7-3-6-15-13(16)5-4-10-20-15/h3-11H,2H2,1H3,(H,21,22)
InChIKeyCZVNQDHILCLMTH-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.65
Rot. Bonds4

About 3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide

3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide (PubChem CID 1018024) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide
PubChem CID1018024
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1Br
InChIInChI=1S/C18H15BrN2O2/c1-2-23-17-9-8-12(11-14(17)19)18(22)21-16-7-3-6-15-13(16)5-4-10-20-15/h3-11H,2H2,1H3,(H,21,22)
InChIKeyCZVNQDHILCLMTH-UHFFFAOYSA-N
XLogP4.65
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide?
The IUPAC name of 3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide (CID 1018024) is 3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide?
The canonical SMILES for 3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide is CCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1Br.
What is the InChIKey of 3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide?
The InChIKey is CZVNQDHILCLMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c1-2-23-17-9-8-12(11-14(17)19)18(22)21-16-7-3-6-15-13(16)5-4-10-20-15/h3-11H,2H2,1H3,(H,21,22).
What are the key properties of 3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide?
3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide has a molecular weight of 371.23 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-ethoxy-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 1018024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).