1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone

C21H21N3O — CID 51320584

IUPAC1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H21N3O/c25-20(16-18-7-4-6-17-8-5-11-22-21(17)18)24-14-12-23(13-15-24)19-9-2-1-3-10-19/h1-11H,12-16H2
InChIKeyNODICSISIZZRPP-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.13
Rot. Bonds3

About 1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone

1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone (PubChem CID 51320584) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
PubChem CID51320584
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
SMILESO=C(Cc1cccc2cccnc12)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H21N3O/c25-20(16-18-7-4-6-17-8-5-11-22-21(17)18)24-14-12-23(13-15-24)19-9-2-1-3-10-19/h1-11H,12-16H2
InChIKeyNODICSISIZZRPP-UHFFFAOYSA-N
XLogP3.13
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-2-quinolin-8-ylethanone
CID 55679934
6-(2-quinolin-8-ylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514844
3-phenyl-1-[4-(quinolin-8-ylmethyl)piperazin-1-yl]propan-1-one
CID 51336494
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 9154776
2-(4-phenyl-1,4-diazepan-1-yl)-N-(2-quinolin-8-ylethyl)acetamide
CID 87019726
1-(4-quinolin-8-ylpiperazin-1-yl)propan-1-one
CID 113079712
1-phenyl-2-quinolin-8-ylethanone
CID 171934139
2-(1,3-benzodioxol-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110853146
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-quinolin-8-ylethanone
CID 55507622
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-quinolin-8-ylethanone
CID 120807977
1-(2-benzylpyrrolidin-1-yl)-2-quinolin-8-ylethanone
CID 51338069
1-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]-2-quinolin-8-ylethanone
CID 86821360

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone (CID 51320584) is 1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone is O=C(Cc1cccc2cccnc12)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone?
The InChIKey is NODICSISIZZRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-20(16-18-7-4-6-17-8-5-11-22-21(17)18)24-14-12-23(13-15-24)19-9-2-1-3-10-19/h1-11H,12-16H2.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone?
1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone has a molecular weight of 331.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone is sourced from PubChem (CID 51320584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).