7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine

C17H13F2N3O — CID 135152963

IUPAC7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine
SMILESCC1(C)N=C(c2cnc3ccccc3n2)c2ccoc2C1(F)F
InChIInChI=1S/C17H13F2N3O/c1-16(2)17(18,19)15-10(7-8-23-15)14(22-16)13-9-20-11-5-3-4-6-12(11)21-13/h3-9H,1-2H3
InChIKeyPDYVTQYDVASCOI-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.94
Rot. Bonds1

About 7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine

7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine (PubChem CID 135152963) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is 7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine.

Molecular Properties

Compound Name7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine
PubChem CID135152963
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine
SMILESCC1(C)N=C(c2cnc3ccccc3n2)c2ccoc2C1(F)F
InChIInChI=1S/C17H13F2N3O/c1-16(2)17(18,19)15-10(7-8-23-15)14(22-16)13-9-20-11-5-3-4-6-12(11)21-13/h3-9H,1-2H3
InChIKeyPDYVTQYDVASCOI-UHFFFAOYSA-N
XLogP3.94
TPSA51.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine with MolForge

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Related Compounds

(-)-Dimethyl-{2-[3-((R)-1-pyridin-2-yl-ethyl)-benzofuran-2-yl]-ethyl}-amine
CID 44247935
1-(4-Methylphenyl)-2-(3-quinoxalin-2-ylphenoxy)ethanone
CID 1979873
8-{4-[2-(1-Benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline
CID 11383270
1-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole
CID 56640868
2-(2-Furyl)quinoxaline
CID 282544
11-Methylfuro[3,2-c][1,10]phenanthroline
CID 44587501
2-(Furan-3-yl)-5-[(5-methyl-3-pyridinyl)methyl]pyridine
CID 137650545
4-(furan-2-yl)-2-pyridin-2-yl-5H-chromeno[4,3-b]pyridine
CID 53377302
Anamecouldnotbegeneratedforthisstructure
CID 11434639
5-(Furan-2-yl)-3-(4-methylpiperazin-1-yl)quinoline
CID 50997456
4-(Furan-3-yl)-2,6-dipyridin-2-ylpyridine
CID 10447455
4-(Furan-2-yl)-2-pyridin-2-ylpyridine
CID 44276126

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine?
The IUPAC name of 7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine (CID 135152963) is 7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine.
What is the SMILES notation for 7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine?
The canonical SMILES for 7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine is CC1(C)N=C(c2cnc3ccccc3n2)c2ccoc2C1(F)F.
What is the InChIKey of 7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine?
The InChIKey is PDYVTQYDVASCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c1-16(2)17(18,19)15-10(7-8-23-15)14(22-16)13-9-20-11-5-3-4-6-12(11)21-13/h3-9H,1-2H3.
What are the key properties of 7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine?
7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine has a molecular weight of 313.31 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-6,6-dimethyl-4-quinoxalin-2-ylfuro[3,2-c]pyridine is sourced from PubChem (CID 135152963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).