6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C26H28F2N4O2 — CID 21073462

IUPAC6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(F)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)nc2N1
InChIInChI=1S/C26H28F2N4O2/c27-20-7-3-5-18-6-4-8-22(24(18)20)32-14-12-31(13-15-32)11-1-2-16-34-26-21(28)17-19-9-10-23(33)29-25(19)30-26/h3-8,17H,1-2,9-16H2,(H,29,30,33)
InChIKeyZOHZLDJTOGMNDA-UHFFFAOYSA-N
MW466.53 g/mol
LogP4.38
Rot. Bonds7

About 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 21073462) has the molecular formula C26H28F2N4O2 and a molecular weight of 466.53 g/mol. Its IUPAC name is 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID21073462
Molecular FormulaC26H28F2N4O2
Molecular Weight466.53 g/mol
Exact Mass466.22
IUPAC Name6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(F)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)nc2N1
InChIInChI=1S/C26H28F2N4O2/c27-20-7-3-5-18-6-4-8-22(24(18)20)32-14-12-31(13-15-32)11-1-2-16-34-26-21(28)17-19-9-10-23(33)29-25(19)30-26/h3-8,17H,1-2,9-16H2,(H,29,30,33)
InChIKeyZOHZLDJTOGMNDA-UHFFFAOYSA-N
XLogP4.38
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.53
LogP ≤ 54.38
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 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 21073462) is 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(F)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)nc2N1.
What is the InChIKey of 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is ZOHZLDJTOGMNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O2/c27-20-7-3-5-18-6-4-8-22(24(18)20)32-14-12-31(13-15-32)11-1-2-16-34-26-21(28)17-19-9-10-23(33)29-25(19)30-26/h3-8,17H,1-2,9-16H2,(H,29,30,33).
What are the key properties of 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 466.53 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 21073462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).