6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one

C25H28N2O2 — CID 10362856

IUPAC6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one
SMILESO=C(CCCCCOc1cc(-c2ccccc2)c2ccccc2n1)N1CCCC1
InChIInChI=1S/C25H28N2O2/c28-25(27-16-8-9-17-27)15-5-2-10-18-29-24-19-22(20-11-3-1-4-12-20)21-13-6-7-14-23(21)26-24/h1,3-4,6-7,11-14,19H,2,5,8-10,15-18H2
InChIKeyZEQOUHYGXDUQHZ-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.46
Rot. Bonds8

About 6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one

6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 10362856) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one
PubChem CID10362856
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one
SMILESO=C(CCCCCOc1cc(-c2ccccc2)c2ccccc2n1)N1CCCC1
InChIInChI=1S/C25H28N2O2/c28-25(27-16-8-9-17-27)15-5-2-10-18-29-24-19-22(20-11-3-1-4-12-20)21-13-6-7-14-23(21)26-24/h1,3-4,6-7,11-14,19H,2,5,8-10,15-18H2
InChIKeyZEQOUHYGXDUQHZ-UHFFFAOYSA-N
XLogP5.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 3025
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CID 521951
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CID 6914621
CID 6914621
CID 3241312
CID 3241312
CID 132697
CID 132697
CID 9953861
CID 9953861
CID 44339912
CID 44339912
CID 44339913
CID 44339913
CID 44339934
CID 44339934
CID 44363536
CID 44363536
CID 53320639
CID 53320639

Frequently Asked Questions

What is the IUPAC name of 6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one (CID 10362856) is 6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one is O=C(CCCCCOc1cc(-c2ccccc2)c2ccccc2n1)N1CCCC1.
What is the InChIKey of 6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is ZEQOUHYGXDUQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c28-25(27-16-8-9-17-27)15-5-2-10-18-29-24-19-22(20-11-3-1-4-12-20)21-13-6-7-14-23(21)26-24/h1,3-4,6-7,11-14,19H,2,5,8-10,15-18H2.
What are the key properties of 6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one?
6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 388.51 g/mol, XLogP of 5.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylquinolin-2-yl)oxy-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 10362856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).