quinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate

C20H15N3O2 — CID 39966182

IUPACquinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)Oc3cccc4cccnc34)cc2nc1C
InChIInChI=1S/C20H15N3O2/c1-12-13(2)23-17-11-15(8-9-16(17)22-12)20(24)25-18-7-3-5-14-6-4-10-21-19(14)18/h3-11H,1-2H3
InChIKeyHGPWXFNOQFWCLB-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.01
Rot. Bonds2

About quinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate

quinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 39966182) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is quinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Namequinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID39966182
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Namequinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)Oc3cccc4cccnc34)cc2nc1C
InChIInChI=1S/C20H15N3O2/c1-12-13(2)23-17-11-15(8-9-16(17)22-12)20(24)25-18-7-3-5-14-6-4-10-21-19(14)18/h3-11H,1-2H3
InChIKeyHGPWXFNOQFWCLB-UHFFFAOYSA-N
XLogP4.01
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.01
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 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of quinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate (CID 39966182) is quinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for quinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for quinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate is Cc1nc2ccc(C(=O)Oc3cccc4cccnc34)cc2nc1C.
What is the InChIKey of quinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is HGPWXFNOQFWCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-12-13(2)23-17-11-15(8-9-16(17)22-12)20(24)25-18-7-3-5-14-6-4-10-21-19(14)18/h3-11H,1-2H3.
What are the key properties of quinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate?
quinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 329.36 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 39966182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).