N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide

C26H30N4O2S — CID 155803109

IUPACN-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide
SMILESCC(=O)Nc1ccc(CCCN2CCN(c3cccc4sccc34)CC2)c2c1NC(=O)CC2
InChIInChI=1S/C26H30N4O2S/c1-18(31)27-22-9-7-19(20-8-10-25(32)28-26(20)22)4-3-12-29-13-15-30(16-14-29)23-5-2-6-24-21(23)11-17-33-24/h2,5-7,9,11,17H,3-4,8,10,12-16H2,1H3,(H,27,31)(H,28,32)
InChIKeyPUNFWZQMYYXCIF-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.50
Rot. Bonds6

About N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide

N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide (PubChem CID 155803109) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide.

Molecular Properties

Compound NameN-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide
PubChem CID155803109
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC NameN-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide
SMILESCC(=O)Nc1ccc(CCCN2CCN(c3cccc4sccc34)CC2)c2c1NC(=O)CC2
InChIInChI=1S/C26H30N4O2S/c1-18(31)27-22-9-7-19(20-8-10-25(32)28-26(20)22)4-3-12-29-13-15-30(16-14-29)23-5-2-6-24-21(23)11-17-33-24/h2,5-7,9,11,17H,3-4,8,10,12-16H2,1H3,(H,27,31)(H,28,32)
InChIKeyPUNFWZQMYYXCIF-UHFFFAOYSA-N
XLogP4.50
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide?
The IUPAC name of N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide (CID 155803109) is N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide.
What is the SMILES notation for N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide?
The canonical SMILES for N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide is CC(=O)Nc1ccc(CCCN2CCN(c3cccc4sccc34)CC2)c2c1NC(=O)CC2.
What is the InChIKey of N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide?
The InChIKey is PUNFWZQMYYXCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-18(31)27-22-9-7-19(20-8-10-25(32)28-26(20)22)4-3-12-29-13-15-30(16-14-29)23-5-2-6-24-21(23)11-17-33-24/h2,5-7,9,11,17H,3-4,8,10,12-16H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide?
N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide has a molecular weight of 462.62 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(1-benzothiophen-4-yl)piperazin-1-yl]propyl]-2-oxo-3,4-dihydro-1H-quinolin-8-yl]acetamide is sourced from PubChem (CID 155803109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).