4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one

C15H11ClN4O3 — CID 156599521

IUPAC4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1nc(Cl)nc2ccoc12
InChIInChI=1S/C15H11ClN4O3/c1-22-8-2-3-11-10(6-8)17-12(21)7-20(11)14-13-9(4-5-23-13)18-15(16)19-14/h2-6H,7H2,1H3,(H,17,21)
InChIKeyCIWSQRPJOUYPNZ-UHFFFAOYSA-N
MW330.73 g/mol
LogP2.97
Rot. Bonds2

About 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one

4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one (PubChem CID 156599521) has the molecular formula C15H11ClN4O3 and a molecular weight of 330.73 g/mol. Its IUPAC name is 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
PubChem CID156599521
Molecular FormulaC15H11ClN4O3
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC Name4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one
SMILESCOc1ccc2c(c1)NC(=O)CN2c1nc(Cl)nc2ccoc12
InChIInChI=1S/C15H11ClN4O3/c1-22-8-2-3-11-10(6-8)17-12(21)7-20(11)14-13-9(4-5-23-13)18-15(16)19-14/h2-6H,7H2,1H3,(H,17,21)
InChIKeyCIWSQRPJOUYPNZ-UHFFFAOYSA-N
XLogP2.97
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one (CID 156599521) is 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one is COc1ccc2c(c1)NC(=O)CN2c1nc(Cl)nc2ccoc12.
What is the InChIKey of 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
The InChIKey is CIWSQRPJOUYPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O3/c1-22-8-2-3-11-10(6-8)17-12(21)7-20(11)14-13-9(4-5-23-13)18-15(16)19-14/h2-6H,7H2,1H3,(H,17,21).
What are the key properties of 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one?
4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one has a molecular weight of 330.73 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorofuro[3,2-d]pyrimidin-4-yl)-7-methoxy-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 156599521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).