7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one

C25H25FN4O2 — CID 21073472

IUPAC7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2[nH]1
InChIInChI=1S/C25H25FN4O2/c26-20-8-5-18-3-1-4-22(21(18)17-20)30-14-12-29(13-15-30)11-2-16-32-24-10-7-19-6-9-23(31)27-25(19)28-24/h1,3-10,17H,2,11-16H2,(H,27,28,31)
InChIKeyNUBKMSQURYMVET-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.81
Rot. Bonds6

About 7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one

7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one (PubChem CID 21073472) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one
PubChem CID21073472
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2[nH]1
InChIInChI=1S/C25H25FN4O2/c26-20-8-5-18-3-1-4-22(21(18)17-20)30-14-12-29(13-15-30)11-2-16-32-24-10-7-19-6-9-23(31)27-25(19)28-24/h1,3-10,17H,2,11-16H2,(H,27,28,31)
InChIKeyNUBKMSQURYMVET-UHFFFAOYSA-N
XLogP3.81
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.81
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-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one (CID 21073472) is 7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one is O=c1ccc2ccc(OCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2[nH]1.
What is the InChIKey of 7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one?
The InChIKey is NUBKMSQURYMVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c26-20-8-5-18-3-1-4-22(21(18)17-20)30-14-12-29(13-15-30)11-2-16-32-24-10-7-19-6-9-23(31)27-25(19)28-24/h1,3-10,17H,2,11-16H2,(H,27,28,31).
What are the key properties of 7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one?
7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one has a molecular weight of 432.50 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]propoxy]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 21073472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).