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

C25H32N4O3 — CID 21073793

IUPAC7-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)nc2N1
InChIInChI=1S/C25H32N4O3/c30-22-10-8-20-9-11-23(27-25(20)26-22)31-17-2-1-12-28-13-15-29(16-14-28)21-7-3-5-19-6-4-18-32-24(19)21/h3,5,7,9,11H,1-2,4,6,8,10,12-18H2,(H,26,27,30)
InChIKeyNRFJXDLMBKNOHP-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.27
Rot. Bonds7

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

7-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 21073793) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 7-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID21073793
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name7-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)nc2N1
InChIInChI=1S/C25H32N4O3/c30-22-10-8-20-9-11-23(27-25(20)26-22)31-17-2-1-12-28-13-15-29(16-14-28)21-7-3-5-19-6-4-18-32-24(19)21/h3,5,7,9,11H,1-2,4,6,8,10,12-18H2,(H,26,27,30)
InChIKeyNRFJXDLMBKNOHP-UHFFFAOYSA-N
XLogP3.27
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 21073793) is 7-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4OCCC5)CC3)nc2N1.
What is the InChIKey of 7-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is NRFJXDLMBKNOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c30-22-10-8-20-9-11-23(27-25(20)26-22)31-17-2-1-12-28-13-15-29(16-14-28)21-7-3-5-19-6-4-18-32-24(19)21/h3,5,7,9,11H,1-2,4,6,8,10,12-18H2,(H,26,27,30).
What are the key properties of 7-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 436.56 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 21073793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).