7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one

C24H30N4O3 — CID 21073559

IUPAC7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one
SMILESO=C1CCc2cnc(OCCCCN3CCN(c4cccc5c4OCC5)CC3)cc2N1
InChIInChI=1S/C24H30N4O3/c29-22-7-6-19-17-25-23(16-20(19)26-22)30-14-2-1-9-27-10-12-28(13-11-27)21-5-3-4-18-8-15-31-24(18)21/h3-5,16-17H,1-2,6-15H2,(H,26,29)
InChIKeyCDROOWDQVAJXSY-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.88
Rot. Bonds7

About 7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one

7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one (PubChem CID 21073559) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one
PubChem CID21073559
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one
SMILESO=C1CCc2cnc(OCCCCN3CCN(c4cccc5c4OCC5)CC3)cc2N1
InChIInChI=1S/C24H30N4O3/c29-22-7-6-19-17-25-23(16-20(19)26-22)30-14-2-1-9-27-10-12-28(13-11-27)21-5-3-4-18-8-15-31-24(18)21/h3-5,16-17H,1-2,6-15H2,(H,26,29)
InChIKeyCDROOWDQVAJXSY-UHFFFAOYSA-N
XLogP2.88
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.88
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-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-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-[3-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073475
1-butyl-4-(2,3-dihydro-1-benzofuran-7-yl)piperazine
CID 173092297
7-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10715828
7-(4-hydroxybutoxy)-3,4-dihydro-1H-1,6-naphthyridin-2-one
CID 21073845
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 11720026
7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 171647773
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-[2-(trifluoromethyl)phenyl]-1,4-diazepan-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66633428
7-[4-[4-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxy]butyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 46888927
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-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073716
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-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one?
The IUPAC name of 7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one (CID 21073559) is 7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one is O=C1CCc2cnc(OCCCCN3CCN(c4cccc5c4OCC5)CC3)cc2N1.
What is the InChIKey of 7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one?
The InChIKey is CDROOWDQVAJXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c29-22-7-6-19-17-25-23(16-20(19)26-22)30-14-2-1-9-27-10-12-28(13-11-27)21-5-3-4-18-8-15-31-24(18)21/h3-5,16-17H,1-2,6-15H2,(H,26,29).
What are the key properties of 7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one?
7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one has a molecular weight of 422.53 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2,3-dihydro-1-benzofuran-7-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,6-naphthyridin-2-one is sourced from PubChem (CID 21073559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).