4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one

C27H27N3O2 — CID 108764163

IUPAC4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCOc1ccc2ccccc2c1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C27H27N3O2/c31-27(10-5-19-32-24-13-11-21-6-1-2-8-23(21)20-24)30-17-15-29(16-18-30)26-14-12-22-7-3-4-9-25(22)28-26/h1-4,6-9,11-14,20H,5,10,15-19H2
InChIKeyKIMBURDZPXFGQQ-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.90
Rot. Bonds6

About 4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one

4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 108764163) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
PubChem CID108764163
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
SMILESO=C(CCCOc1ccc2ccccc2c1)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C27H27N3O2/c31-27(10-5-19-32-24-13-11-21-6-1-2-8-23(21)20-24)30-17-15-29(16-18-30)26-14-12-22-7-3-4-9-25(22)28-26/h1-4,6-9,11-14,20H,5,10,15-19H2
InChIKeyKIMBURDZPXFGQQ-UHFFFAOYSA-N
XLogP4.90
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,6-dimethylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one
CID 108764157
1-[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-4-naphthalen-2-yloxybutan-1-one
CID 108754811
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 567081
1-[4-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]-4-naphthalen-2-yloxybutan-1-one
CID 108753475
4-phenoxy-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 56537482
3,3-diphenyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741630
4-(3-naphthalen-2-yloxypropanoyl)piperazine-1-carbothioamide
CID 4740345
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
4-(2-methylphenoxy)-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]butan-1-one
CID 108765125
2-(5-methyl-2-propan-2-ylphenoxy)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 108741580

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one (CID 108764163) is 4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one is O=C(CCCOc1ccc2ccccc2c1)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is KIMBURDZPXFGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c31-27(10-5-19-32-24-13-11-21-6-1-2-8-23(21)20-24)30-17-15-29(16-18-30)26-14-12-22-7-3-4-9-25(22)28-26/h1-4,6-9,11-14,20H,5,10,15-19H2.
What are the key properties of 4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one?
4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 425.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yloxy-1-(4-quinolin-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 108764163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).