phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone

C23H25N3O2 — CID 45272100

IUPACphenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(CCCOc2ccc3ncccc3c2)CC1
InChIInChI=1S/C23H25N3O2/c27-23(19-6-2-1-3-7-19)26-15-13-25(14-16-26)12-5-17-28-21-9-10-22-20(18-21)8-4-11-24-22/h1-4,6-11,18H,5,12-17H2
InChIKeyPNYMRTFSPSRHQP-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.46
Rot. Bonds6

About phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone

phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone (PubChem CID 45272100) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
PubChem CID45272100
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Namephenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCN(CCCOc2ccc3ncccc3c2)CC1
InChIInChI=1S/C23H25N3O2/c27-23(19-6-2-1-3-7-19)26-15-13-25(14-16-26)12-5-17-28-21-9-10-22-20(18-21)8-4-11-24-22/h1-4,6-11,18H,5,12-17H2
InChIKeyPNYMRTFSPSRHQP-UHFFFAOYSA-N
XLogP3.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.46
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-aminoethyl)piperazin-1-yl]-quinolin-6-ylmethanone
CID 62850573
1-[4-(3-piperidin-1-ylpropoxy)phenyl]-4-(quinoline-6-carbonyl)piperazin-2-one
CID 15987279
4-benzyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
CID 112975813
(4-methoxyphenyl)-[4-(1-quinolin-6-ylethenyl)piperazin-1-yl]methanone
CID 89311572
(5-methylfuran-2-yl)-[4-(3-naphthalen-2-yloxypropyl)piperazin-1-yl]methanone
CID 86885930
[4-[2-fluoro-4-(3-piperidin-1-ylpropoxy)phenyl]piperazin-1-yl]-phenylmethanone
CID 59250200
[4-(3-chloropropyl)piperazin-1-yl]-phenylmethanone
CID 53486748
4-phenyl-N-(2-quinolin-6-yloxyethyl)piperazine-1-carboxamide
CID 112975814
[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 110638188
2-amino-5-quinolin-6-yloxypentanoic acid
CID 112519211
2-(4-benzoylpiperazin-1-yl)-5-(3-piperidin-1-ylpropoxy)benzonitrile
CID 59250207
1-(3-quinolin-6-yloxypropyl)pyrrolidin-2-one
CID 94696788

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone?
The IUPAC name of phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone (CID 45272100) is phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone is O=C(c1ccccc1)N1CCN(CCCOc2ccc3ncccc3c2)CC1.
What is the InChIKey of phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone?
The InChIKey is PNYMRTFSPSRHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23(19-6-2-1-3-7-19)26-15-13-25(14-16-26)12-5-17-28-21-9-10-22-20(18-21)8-4-11-24-22/h1-4,6-11,18H,5,12-17H2.
What are the key properties of phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone?
phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(3-quinolin-6-yloxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 45272100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).