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

C18H15ClN2O2 — CID 834663

IUPAC3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1Cl
InChIInChI=1S/C18H15ClN2O2/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)
InChIKeyGSKIPZYKEQFWJT-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.54
Rot. Bonds4

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

3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide (PubChem CID 834663) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide
PubChem CID834663
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1Cl
InChIInChI=1S/C18H15ClN2O2/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)
InChIKeyGSKIPZYKEQFWJT-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide (CID 834663) is 3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide is CCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide?
The InChIKey is GSKIPZYKEQFWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/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-chloro-4-ethoxy-N-quinolin-5-ylbenzamide?
3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide has a molecular weight of 326.78 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-quinolin-5-ylbenzamide is sourced from PubChem (CID 834663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).