5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide

C22H23BrN4O2S — CID 55832874

IUPAC5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C22H23BrN4O2S/c1-15(25-21(28)18-7-8-19(23)30-18)22(29)27-12-10-26(11-13-27)14-17-5-2-4-16-6-3-9-24-20(16)17/h2-9,15H,10-14H2,1H3,(H,25,28)
InChIKeyRFHCOORBMBNIRE-UHFFFAOYSA-N
MW487.42 g/mol
LogP3.52
Rot. Bonds5

About 5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide

5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide (PubChem CID 55832874) has the molecular formula C22H23BrN4O2S and a molecular weight of 487.42 g/mol. Its IUPAC name is 5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide
PubChem CID55832874
Molecular FormulaC22H23BrN4O2S
Molecular Weight487.42 g/mol
Exact Mass486.07
IUPAC Name5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(Br)s1)C(=O)N1CCN(Cc2cccc3cccnc23)CC1
InChIInChI=1S/C22H23BrN4O2S/c1-15(25-21(28)18-7-8-19(23)30-18)22(29)27-12-10-26(11-13-27)14-17-5-2-4-16-6-3-9-24-20(16)17/h2-9,15H,10-14H2,1H3,(H,25,28)
InChIKeyRFHCOORBMBNIRE-UHFFFAOYSA-N
XLogP3.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dichloro-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]benzamide
CID 55740337
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CID 86903665
5-bromo-N-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 112838776
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CID 16623035
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide;hydrochloride
CID 119520209
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CID 119412744
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CID 119492735
5-bromo-N-[1-oxo-1-[4-(propylsulfonylamino)piperidin-1-yl]propan-2-yl]thiophene-2-carboxamide
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N-[1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46471453
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
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CID 51336494
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide (CID 55832874) is 5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(Br)s1)C(=O)N1CCN(Cc2cccc3cccnc23)CC1.
What is the InChIKey of 5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide?
The InChIKey is RFHCOORBMBNIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O2S/c1-15(25-21(28)18-7-8-19(23)30-18)22(29)27-12-10-26(11-13-27)14-17-5-2-4-16-6-3-9-24-20(16)17/h2-9,15H,10-14H2,1H3,(H,25,28).
What are the key properties of 5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide has a molecular weight of 487.42 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-oxo-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55832874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).