6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

C17H18F2N2O — CID 133494889

IUPAC6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESFc1cc(F)c2nccc(N3CCC4OCCCC4C3)c2c1
InChIInChI=1S/C17H18F2N2O/c18-12-8-13-15(3-5-20-17(13)14(19)9-12)21-6-4-16-11(10-21)2-1-7-22-16/h3,5,8-9,11,16H,1-2,4,6-7,10H2
InChIKeyFUAINNYQMCAZMO-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.52
Rot. Bonds1

About 6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine

6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (PubChem CID 133494889) has the molecular formula C17H18F2N2O and a molecular weight of 304.34 g/mol. Its IUPAC name is 6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.

Molecular Properties

Compound Name6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
PubChem CID133494889
Molecular FormulaC17H18F2N2O
Molecular Weight304.34 g/mol
Exact Mass304.14
IUPAC Name6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
SMILESFc1cc(F)c2nccc(N3CCC4OCCCC4C3)c2c1
InChIInChI=1S/C17H18F2N2O/c18-12-8-13-15(3-5-20-17(13)14(19)9-12)21-6-4-16-11(10-21)2-1-7-22-16/h3,5,8-9,11,16H,1-2,4,6-7,10H2
InChIKeyFUAINNYQMCAZMO-UHFFFAOYSA-N
XLogP3.52
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The IUPAC name of 6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine (CID 133494889) is 6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine.
What is the SMILES notation for 6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The canonical SMILES for 6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is Fc1cc(F)c2nccc(N3CCC4OCCCC4C3)c2c1.
What is the InChIKey of 6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
The InChIKey is FUAINNYQMCAZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O/c18-12-8-13-15(3-5-20-17(13)14(19)9-12)21-6-4-16-11(10-21)2-1-7-22-16/h3,5,8-9,11,16H,1-2,4,6-7,10H2.
What are the key properties of 6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine?
6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine has a molecular weight of 304.34 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-difluoroquinolin-4-yl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine is sourced from PubChem (CID 133494889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).