quinoxalin-2-yl quinoxaline-2-carboxylate

C17H10N4O2 — CID 177101519

IUPACquinoxalin-2-yl quinoxaline-2-carboxylate
SMILESO=C(Oc1cnc2ccccc2n1)c1cnc2ccccc2n1
InChIInChI=1S/C17H10N4O2/c22-17(15-9-18-11-5-1-3-7-13(11)20-15)23-16-10-19-12-6-2-4-8-14(12)21-16/h1-10H
InChIKeyBONXEKAZTGKCPO-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.79
Rot. Bonds2

About quinoxalin-2-yl quinoxaline-2-carboxylate

quinoxalin-2-yl quinoxaline-2-carboxylate (PubChem CID 177101519) has the molecular formula C17H10N4O2 and a molecular weight of 302.29 g/mol. Its IUPAC name is quinoxalin-2-yl quinoxaline-2-carboxylate.

Molecular Properties

Compound Namequinoxalin-2-yl quinoxaline-2-carboxylate
PubChem CID177101519
Molecular FormulaC17H10N4O2
Molecular Weight302.29 g/mol
Exact Mass302.08
IUPAC Namequinoxalin-2-yl quinoxaline-2-carboxylate
SMILESO=C(Oc1cnc2ccccc2n1)c1cnc2ccccc2n1
InChIInChI=1S/C17H10N4O2/c22-17(15-9-18-11-5-1-3-7-13(11)20-15)23-16-10-19-12-6-2-4-8-14(12)21-16/h1-10H
InChIKeyBONXEKAZTGKCPO-UHFFFAOYSA-N
XLogP2.79
TPSA77.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of quinoxalin-2-yl quinoxaline-2-carboxylate?
The IUPAC name of quinoxalin-2-yl quinoxaline-2-carboxylate (CID 177101519) is quinoxalin-2-yl quinoxaline-2-carboxylate.
What is the SMILES notation for quinoxalin-2-yl quinoxaline-2-carboxylate?
The canonical SMILES for quinoxalin-2-yl quinoxaline-2-carboxylate is O=C(Oc1cnc2ccccc2n1)c1cnc2ccccc2n1.
What is the InChIKey of quinoxalin-2-yl quinoxaline-2-carboxylate?
The InChIKey is BONXEKAZTGKCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4O2/c22-17(15-9-18-11-5-1-3-7-13(11)20-15)23-16-10-19-12-6-2-4-8-14(12)21-16/h1-10H.
What are the key properties of quinoxalin-2-yl quinoxaline-2-carboxylate?
quinoxalin-2-yl quinoxaline-2-carboxylate has a molecular weight of 302.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinoxalin-2-yl quinoxaline-2-carboxylate is sourced from PubChem (CID 177101519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).