8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine

C26H28FN3O3 — CID 170737296

IUPAC8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
SMILESCOc1ccc2ncc(F)c(CCN3CCC(/C=C/c4ccc5c(c4)OCCO5)CC3)c2n1
InChIInChI=1S/C26H28FN3O3/c1-31-25-7-5-22-26(29-25)20(21(27)17-28-22)10-13-30-11-8-18(9-12-30)2-3-19-4-6-23-24(16-19)33-15-14-32-23/h2-7,16-18H,8-15H2,1H3/b3-2+
InChIKeyDLNOBYHYSLNYFN-NSCUHMNNSA-N
MW449.53 g/mol
LogP4.52
Rot. Bonds6

About 8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine

8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine (PubChem CID 170737296) has the molecular formula C26H28FN3O3 and a molecular weight of 449.53 g/mol. Its IUPAC name is 8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine.

Molecular Properties

Compound Name8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
PubChem CID170737296
Molecular FormulaC26H28FN3O3
Molecular Weight449.53 g/mol
Exact Mass449.21
IUPAC Name8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine
SMILESCOc1ccc2ncc(F)c(CCN3CCC(/C=C/c4ccc5c(c4)OCCO5)CC3)c2n1
InChIInChI=1S/C26H28FN3O3/c1-31-25-7-5-22-26(29-25)20(21(27)17-28-22)10-13-30-11-8-18(9-12-30)2-3-19-4-6-23-24(16-19)33-15-14-32-23/h2-7,16-18H,8-15H2,1H3/b3-2+
InChIKeyDLNOBYHYSLNYFN-NSCUHMNNSA-N
XLogP4.52
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine?
The IUPAC name of 8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine (CID 170737296) is 8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine.
What is the SMILES notation for 8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine?
The canonical SMILES for 8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine is COc1ccc2ncc(F)c(CCN3CCC(/C=C/c4ccc5c(c4)OCCO5)CC3)c2n1.
What is the InChIKey of 8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine?
The InChIKey is DLNOBYHYSLNYFN-NSCUHMNNSA-N. The full InChI is InChI=1S/C26H28FN3O3/c1-31-25-7-5-22-26(29-25)20(21(27)17-28-22)10-13-30-11-8-18(9-12-30)2-3-19-4-6-23-24(16-19)33-15-14-32-23/h2-7,16-18H,8-15H2,1H3/b3-2+.
What are the key properties of 8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine?
8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine has a molecular weight of 449.53 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[4-[(E)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethenyl]piperidin-1-yl]ethyl]-7-fluoro-2-methoxy-1,5-naphthyridine is sourced from PubChem (CID 170737296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).