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

C26H29FN4O2 — CID 11554167

IUPAC7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2N1
InChIInChI=1S/C26H29FN4O2/c27-21-9-6-19-4-3-5-23(22(19)18-21)31-15-13-30(14-16-31)12-1-2-17-33-25-11-8-20-7-10-24(32)28-26(20)29-25/h3-6,8-9,11,18H,1-2,7,10,12-17H2,(H,28,29,32)
InChIKeyCGVZEZGEEUBAEK-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.24
Rot. Bonds7

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

7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 11554167) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID11554167
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2N1
InChIInChI=1S/C26H29FN4O2/c27-21-9-6-19-4-3-5-23(22(19)18-21)31-15-13-30(14-16-31)12-1-2-17-33-25-11-8-20-7-10-24(32)28-26(20)29-25/h3-6,8-9,11,18H,1-2,7,10,12-17H2,(H,28,29,32)
InChIKeyCGVZEZGEEUBAEK-UHFFFAOYSA-N
XLogP4.24
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.24
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-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 11554167) is 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccc(F)cc45)CC3)nc2N1.
What is the InChIKey of 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is CGVZEZGEEUBAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c27-21-9-6-19-4-3-5-23(22(19)18-21)31-15-13-30(14-16-31)12-1-2-17-33-25-11-8-20-7-10-24(32)28-26(20)29-25/h3-6,8-9,11,18H,1-2,7,10,12-17H2,(H,28,29,32).
What are the key properties of 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 448.54 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(7-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 11554167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).