methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate

C15H10F2N2O4 — CID 71995596

IUPACmethyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1Cn1c(=O)cnc2cc(F)c(F)cc21
InChIInChI=1S/C15H10F2N2O4/c1-22-15(21)14-8(2-3-23-14)7-19-12-5-10(17)9(16)4-11(12)18-6-13(19)20/h2-6H,7H2,1H3
InChIKeyPSAIAPBGMZMOBT-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.10
Rot. Bonds3

About methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate

methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate (PubChem CID 71995596) has the molecular formula C15H10F2N2O4 and a molecular weight of 320.25 g/mol. Its IUPAC name is methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate
PubChem CID71995596
Molecular FormulaC15H10F2N2O4
Molecular Weight320.25 g/mol
Exact Mass320.06
IUPAC Namemethyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1Cn1c(=O)cnc2cc(F)c(F)cc21
InChIInChI=1S/C15H10F2N2O4/c1-22-15(21)14-8(2-3-23-14)7-19-12-5-10(17)9(16)4-11(12)18-6-13(19)20/h2-6H,7H2,1H3
InChIKeyPSAIAPBGMZMOBT-UHFFFAOYSA-N
XLogP2.10
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(6,7-difluoro-4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate
CID 71995592
3-[(2-oxoquinoxalin-1-yl)methyl]furan-2-carbohydrazide
CID 63578986
methyl 3-[(2,5-difluoroanilino)methyl]furan-2-carboxylate
CID 43759661
methyl 3-[(3-tert-butyl-6-oxopyridazin-1-yl)methyl]furan-2-carboxylate
CID 71995617
methyl 3-[[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 34710088
methyl 3-[(5-bromo-2,4-difluoroanilino)methyl]furan-2-carboxylate
CID 102853126
methyl 3-[(piperidin-1-ylamino)methyl]furan-2-carboxylate
CID 83006477
methyl 3-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]furan-2-carboxylate
CID 43777897
methyl 3-[(2-chloro-4,6-difluoroanilino)methyl]furan-2-carboxylate
CID 83081479
methyl 3-[(4,5-dicyanoimidazol-1-yl)methyl]furan-2-carboxylate
CID 86784941
methyl 3-[(5-carbamoyl-2-fluoroanilino)methyl]furan-2-carboxylate
CID 43783764
[1-[2-(6,7-difluoro-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl] N-tert-butylcarbamate
CID 123229607

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate (CID 71995596) is methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate is COC(=O)c1occc1Cn1c(=O)cnc2cc(F)c(F)cc21.
What is the InChIKey of methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate?
The InChIKey is PSAIAPBGMZMOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O4/c1-22-15(21)14-8(2-3-23-14)7-19-12-5-10(17)9(16)4-11(12)18-6-13(19)20/h2-6H,7H2,1H3.
What are the key properties of methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate?
methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate has a molecular weight of 320.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6,7-difluoro-2-oxoquinoxalin-1-yl)methyl]furan-2-carboxylate is sourced from PubChem (CID 71995596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).