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

C25H30N4O3 — CID 21073805

IUPAC7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCCN3CCN(c4cccc5c4COCC5)CC3)nc2[nH]1
InChIInChI=1S/C25H30N4O3/c30-23-8-6-20-7-9-24(27-25(20)26-23)32-16-2-1-11-28-12-14-29(15-13-28)22-5-3-4-19-10-17-31-18-21(19)22/h3-9H,1-2,10-18H2,(H,26,27,30)
InChIKeyIMRMRSSLGAUFLV-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.98
Rot. Bonds7

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

7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one (PubChem CID 21073805) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
PubChem CID21073805
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCCN3CCN(c4cccc5c4COCC5)CC3)nc2[nH]1
InChIInChI=1S/C25H30N4O3/c30-23-8-6-20-7-9-24(27-25(20)26-23)32-16-2-1-11-28-12-14-29(15-13-28)22-5-3-4-19-10-17-31-18-21(19)22/h3-9H,1-2,10-18H2,(H,26,27,30)
InChIKeyIMRMRSSLGAUFLV-UHFFFAOYSA-N
XLogP2.98
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-[4-(3-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
CID 21073666
6-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 21073431
7-(3-piperazin-1-ylpropoxy)-1H-1,8-naphthyridin-2-one
CID 21073478
9-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4,5,6-tetrahydro-1H-pyrido[2,3-d][1,3]diazocin-2-one
CID 143300653
6-[4-[4-(3,4-dihydro-1H-isochromen-5-yl)piperazin-1-yl]butoxy]isoindol-1-one
CID 69163669
7-[4-(2-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)butoxy]-1H-1,8-naphthyridin-2-one
CID 72544743
7-[4-[4-(2-oxo-1,3-dihydroinden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073630
7-[4-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073481
7-[4-(8-ethoxy-3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butoxy]-1H-1,8-naphthyridin-2-one
CID 175444037
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,6-naphthyridin-2-one
CID 21073533
7-[3-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073475
7-[4-[4-(2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 69419353

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one (CID 21073805) is 7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one is O=c1ccc2ccc(OCCCCN3CCN(c4cccc5c4COCC5)CC3)nc2[nH]1.
What is the InChIKey of 7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
The InChIKey is IMRMRSSLGAUFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c30-23-8-6-20-7-9-24(27-25(20)26-23)32-16-2-1-11-28-12-14-29(15-13-28)22-5-3-4-19-10-17-31-18-21(19)22/h3-9H,1-2,10-18H2,(H,26,27,30).
What are the key properties of 7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
7-[4-[4-(3,4-dihydro-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one has a molecular weight of 434.54 g/mol, XLogP of 2.98, 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-1H-isochromen-8-yl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 21073805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).