2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine

C15H11ClN4O2 — CID 171473119

IUPAC2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine
SMILESCOc1ccc2c(c1)N=CCN2c1nc(Cl)nc2ccoc12
InChIInChI=1S/C15H11ClN4O2/c1-21-9-2-3-12-11(8-9)17-5-6-20(12)14-13-10(4-7-22-13)18-15(16)19-14/h2-5,7-8H,6H2,1H3
InChIKeyYESWSYXKXCISRU-UHFFFAOYSA-N
MW314.73 g/mol
LogP3.74
Rot. Bonds2

About 2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine

2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine (PubChem CID 171473119) has the molecular formula C15H11ClN4O2 and a molecular weight of 314.73 g/mol. Its IUPAC name is 2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine
PubChem CID171473119
Molecular FormulaC15H11ClN4O2
Molecular Weight314.73 g/mol
Exact Mass314.06
IUPAC Name2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine
SMILESCOc1ccc2c(c1)N=CCN2c1nc(Cl)nc2ccoc12
InChIInChI=1S/C15H11ClN4O2/c1-21-9-2-3-12-11(8-9)17-5-6-20(12)14-13-10(4-7-22-13)18-15(16)19-14/h2-5,7-8H,6H2,1H3
InChIKeyYESWSYXKXCISRU-UHFFFAOYSA-N
XLogP3.74
TPSA63.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.73
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine?
The IUPAC name of 2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine (CID 171473119) is 2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine.
What is the SMILES notation for 2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine?
The canonical SMILES for 2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine is COc1ccc2c(c1)N=CCN2c1nc(Cl)nc2ccoc12.
What is the InChIKey of 2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine?
The InChIKey is YESWSYXKXCISRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O2/c1-21-9-2-3-12-11(8-9)17-5-6-20(12)14-13-10(4-7-22-13)18-15(16)19-14/h2-5,7-8H,6H2,1H3.
What are the key properties of 2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine?
2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine has a molecular weight of 314.73 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-methoxy-2H-quinoxalin-1-yl)furo[3,2-d]pyrimidine is sourced from PubChem (CID 171473119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).