5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine

C18H17F2N3O3 — CID 71059678

IUPAC5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine
SMILESCOc1cncc(-c2ccc3c(c2)C2(CCO3)N=C(N)OCC2(F)F)c1
InChIInChI=1S/C18H17F2N3O3/c1-24-13-6-12(8-22-9-13)11-2-3-15-14(7-11)17(4-5-25-15)18(19,20)10-26-16(21)23-17/h2-3,6-9H,4-5,10H2,1H3,(H2,21,23)
InChIKeyXDCXYQFQMOXNLU-UHFFFAOYSA-N
MW361.35 g/mol
LogP2.72
Rot. Bonds2

About 5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine

5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine (PubChem CID 71059678) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is 5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine.

Molecular Properties

Compound Name5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine
PubChem CID71059678
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine
SMILESCOc1cncc(-c2ccc3c(c2)C2(CCO3)N=C(N)OCC2(F)F)c1
InChIInChI=1S/C18H17F2N3O3/c1-24-13-6-12(8-22-9-13)11-2-3-15-14(7-11)17(4-5-25-15)18(19,20)10-26-16(21)23-17/h2-3,6-9H,4-5,10H2,1H3,(H2,21,23)
InChIKeyXDCXYQFQMOXNLU-UHFFFAOYSA-N
XLogP2.72
TPSA78.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine?
The IUPAC name of 5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine (CID 71059678) is 5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine.
What is the SMILES notation for 5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine?
The canonical SMILES for 5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine is COc1cncc(-c2ccc3c(c2)C2(CCO3)N=C(N)OCC2(F)F)c1.
What is the InChIKey of 5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine?
The InChIKey is XDCXYQFQMOXNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-24-13-6-12(8-22-9-13)11-2-3-15-14(7-11)17(4-5-25-15)18(19,20)10-26-16(21)23-17/h2-3,6-9H,4-5,10H2,1H3,(H2,21,23).
What are the key properties of 5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine?
5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine has a molecular weight of 361.35 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5',5'-difluoro-6-(5-methoxy-3-pyridinyl)spiro[2,3-dihydrochromene-4,4'-6H-1,3-oxazine]-2'-amine is sourced from PubChem (CID 71059678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).