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

C25H32N4O2 — CID 11647443

IUPAC7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCC5)CC3)nc2N1
InChIInChI=1S/C25H32N4O2/c30-23-11-9-20-10-12-24(27-25(20)26-23)31-18-2-1-13-28-14-16-29(17-15-28)22-8-4-6-19-5-3-7-21(19)22/h4,6,8,10,12H,1-3,5,7,9,11,13-18H2,(H,26,27,30)
InChIKeyXJZDTABDIWRHTR-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.44
Rot. Bonds7

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

7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 11647443) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID11647443
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCC5)CC3)nc2N1
InChIInChI=1S/C25H32N4O2/c30-23-11-9-20-10-12-24(27-25(20)26-23)31-18-2-1-13-28-14-16-29(17-15-28)22-8-4-6-19-5-3-7-21(19)22/h4,6,8,10,12H,1-3,5,7,9,11,13-18H2,(H,26,27,30)
InChIKeyXJZDTABDIWRHTR-UHFFFAOYSA-N
XLogP3.44
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.44
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-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 11647443) is 7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4CCC5)CC3)nc2N1.
What is the InChIKey of 7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is XJZDTABDIWRHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-23-11-9-20-10-12-24(27-25(20)26-23)31-18-2-1-13-28-14-16-29(17-15-28)22-8-4-6-19-5-3-7-21(19)22/h4,6,8,10,12H,1-3,5,7,9,11,13-18H2,(H,26,27,30).
What are the key properties of 7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 420.56 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 11647443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).