quinolin-8-yl quinoxaline-6-carboxylate

C18H11N3O2 — CID 2980708

IUPACquinolin-8-yl quinoxaline-6-carboxylate
SMILESO=C(Oc1cccc2cccnc12)c1ccc2nccnc2c1
InChIInChI=1S/C18H11N3O2/c22-18(13-6-7-14-15(11-13)20-10-9-19-14)23-16-5-1-3-12-4-2-8-21-17(12)16/h1-11H
InChIKeyOEDVXPVAQNCDLM-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.40
Rot. Bonds2

About quinolin-8-yl quinoxaline-6-carboxylate

quinolin-8-yl quinoxaline-6-carboxylate (PubChem CID 2980708) has the molecular formula C18H11N3O2 and a molecular weight of 301.31 g/mol. Its IUPAC name is quinolin-8-yl quinoxaline-6-carboxylate.

Molecular Properties

Compound Namequinolin-8-yl quinoxaline-6-carboxylate
PubChem CID2980708
Molecular FormulaC18H11N3O2
Molecular Weight301.31 g/mol
Exact Mass301.09
IUPAC Namequinolin-8-yl quinoxaline-6-carboxylate
SMILESO=C(Oc1cccc2cccnc12)c1ccc2nccnc2c1
InChIInChI=1S/C18H11N3O2/c22-18(13-6-7-14-15(11-13)20-10-9-19-14)23-16-5-1-3-12-4-2-8-21-17(12)16/h1-11H
InChIKeyOEDVXPVAQNCDLM-UHFFFAOYSA-N
XLogP3.40
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl quinoxaline-6-carboxylate?
The IUPAC name of quinolin-8-yl quinoxaline-6-carboxylate (CID 2980708) is quinolin-8-yl quinoxaline-6-carboxylate.
What is the SMILES notation for quinolin-8-yl quinoxaline-6-carboxylate?
The canonical SMILES for quinolin-8-yl quinoxaline-6-carboxylate is O=C(Oc1cccc2cccnc12)c1ccc2nccnc2c1.
What is the InChIKey of quinolin-8-yl quinoxaline-6-carboxylate?
The InChIKey is OEDVXPVAQNCDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O2/c22-18(13-6-7-14-15(11-13)20-10-9-19-14)23-16-5-1-3-12-4-2-8-21-17(12)16/h1-11H.
What are the key properties of quinolin-8-yl quinoxaline-6-carboxylate?
quinolin-8-yl quinoxaline-6-carboxylate has a molecular weight of 301.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl quinoxaline-6-carboxylate is sourced from PubChem (CID 2980708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).