7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one

C26H26F2N4O2 — CID 11496371

IUPAC7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCCN3CCN(c4cccc5cc(F)c(F)cc45)CC3)nc2[nH]1
InChIInChI=1S/C26H26F2N4O2/c27-21-16-19-4-3-5-23(20(19)17-22(21)28)32-13-11-31(12-14-32)10-1-2-15-34-25-9-7-18-6-8-24(33)29-26(18)30-25/h3-9,16-17H,1-2,10-15H2,(H,29,30,33)
InChIKeyFQDYPMKUIPOIMZ-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.34
Rot. Bonds7

About 7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one

7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one (PubChem CID 11496371) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
PubChem CID11496371
Molecular FormulaC26H26F2N4O2
Molecular Weight464.52 g/mol
Exact Mass464.20
IUPAC Name7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCCN3CCN(c4cccc5cc(F)c(F)cc45)CC3)nc2[nH]1
InChIInChI=1S/C26H26F2N4O2/c27-21-16-19-4-3-5-23(20(19)17-22(21)28)32-13-11-31(12-14-32)10-1-2-15-34-25-9-7-18-6-8-24(33)29-26(18)30-25/h3-9,16-17H,1-2,10-15H2,(H,29,30,33)
InChIKeyFQDYPMKUIPOIMZ-UHFFFAOYSA-N
XLogP4.34
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one (CID 11496371) is 7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one is O=c1ccc2ccc(OCCCCN3CCN(c4cccc5cc(F)c(F)cc45)CC3)nc2[nH]1.
What is the InChIKey of 7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
The InChIKey is FQDYPMKUIPOIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/c27-21-16-19-4-3-5-23(20(19)17-22(21)28)32-13-11-31(12-14-32)10-1-2-15-34-25-9-7-18-6-8-24(33)29-26(18)30-25/h3-9,16-17H,1-2,10-15H2,(H,29,30,33).
What are the key properties of 7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one has a molecular weight of 464.52 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(6,7-difluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 11496371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).