7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine

C24H28N4OS — CID 141108618

IUPAC7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine
SMILESC1=Cc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)nc2NC1
InChIInChI=1S/C24H28N4OS/c1(2-17-29-23-9-8-19-5-4-11-25-24(19)26-23)12-27-13-15-28(16-14-27)21-6-3-7-22-20(21)10-18-30-22/h3-10,18H,1-2,11-17H2,(H,25,26)
InChIKeyVADJOBDUACGEHB-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.72
Rot. Bonds7

About 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine

7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine (PubChem CID 141108618) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine.

Molecular Properties

Compound Name7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine
PubChem CID141108618
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine
SMILESC1=Cc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)nc2NC1
InChIInChI=1S/C24H28N4OS/c1(2-17-29-23-9-8-19-5-4-11-25-24(19)26-23)12-27-13-15-28(16-14-27)21-6-3-7-22-20(21)10-18-30-22/h3-10,18H,1-2,11-17H2,(H,25,26)
InChIKeyVADJOBDUACGEHB-UHFFFAOYSA-N
XLogP4.72
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.72
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-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine?
The IUPAC name of 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine (CID 141108618) is 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine.
What is the SMILES notation for 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine?
The canonical SMILES for 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine is C1=Cc2ccc(OCCCCN3CCN(c4cccc5sccc45)CC3)nc2NC1.
What is the InChIKey of 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine?
The InChIKey is VADJOBDUACGEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1(2-17-29-23-9-8-19-5-4-11-25-24(19)26-23)12-27-13-15-28(16-14-27)21-6-3-7-22-20(21)10-18-30-22/h3-10,18H,1-2,11-17H2,(H,25,26).
What are the key properties of 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine?
7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine has a molecular weight of 420.58 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy]-1,2-dihydro-1,8-naphthyridine is sourced from PubChem (CID 141108618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).