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

C22H24Cl2N4O2 — CID 11662306

IUPAC7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2[nH]1
InChIInChI=1S/C22H24Cl2N4O2/c23-17-4-3-5-18(21(17)24)28-13-11-27(12-14-28)10-1-2-15-30-20-9-7-16-6-8-19(29)25-22(16)26-20/h3-9H,1-2,10-15H2,(H,25,26,29)
InChIKeyXBWNTYFNUFPCHL-UHFFFAOYSA-N
MW447.37 g/mol
LogP4.21
Rot. Bonds7

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

7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one (PubChem CID 11662306) has the molecular formula C22H24Cl2N4O2 and a molecular weight of 447.37 g/mol. Its IUPAC name is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
PubChem CID11662306
Molecular FormulaC22H24Cl2N4O2
Molecular Weight447.37 g/mol
Exact Mass446.13
IUPAC Name7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one
SMILESO=c1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2[nH]1
InChIInChI=1S/C22H24Cl2N4O2/c23-17-4-3-5-18(21(17)24)28-13-11-27(12-14-28)10-1-2-15-30-20-9-7-16-6-8-19(29)25-22(16)26-20/h3-9H,1-2,10-15H2,(H,25,26,29)
InChIKeyXBWNTYFNUFPCHL-UHFFFAOYSA-N
XLogP4.21
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-[4-[4-(2,3-dichlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one (CID 11662306) is 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one is O=c1ccc2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2[nH]1.
What is the InChIKey of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
The InChIKey is XBWNTYFNUFPCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O2/c23-17-4-3-5-18(21(17)24)28-13-11-27(12-14-28)10-1-2-15-30-20-9-7-16-6-8-19(29)25-22(16)26-20/h3-9H,1-2,10-15H2,(H,25,26,29).
What are the key properties of 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one?
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one has a molecular weight of 447.37 g/mol, XLogP of 4.21, 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-dichlorophenyl)piperazin-1-yl]butoxy]-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 11662306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).