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

C26H26F2N4O2 — CID 21073461

IUPAC6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2cc(F)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)nc2[nH]1
InChIInChI=1S/C26H26F2N4O2/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/h3-10,17H,1-2,11-16H2,(H,29,30,33)
InChIKeyJGOJFEORBSZWKG-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.34
Rot. Bonds7

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

6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one (PubChem CID 21073461) has the molecular formula C26H26F2N4O2 and a molecular weight of 464.52 g/mol. Its IUPAC name is 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
PubChem CID21073461
Molecular FormulaC26H26F2N4O2
Molecular Weight464.52 g/mol
Exact Mass464.20
IUPAC Name6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2cc(F)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)nc2[nH]1
InChIInChI=1S/C26H26F2N4O2/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/h3-10,17H,1-2,11-16H2,(H,29,30,33)
InChIKeyJGOJFEORBSZWKG-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 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one (CID 21073461) is 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-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]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one is O=c1ccc2cc(F)c(OCCCCN3CCN(c4cccc5cccc(F)c45)CC3)nc2[nH]1.
What is the InChIKey of 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
The InChIKey is JGOJFEORBSZWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O2/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/h3-10,17H,1-2,11-16H2,(H,29,30,33).
What are the key properties of 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
6-fluoro-7-[4-[4-(8-fluoronaphthalen-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 6-fluoro-7-[4-[4-(8-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 21073461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).