1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

C28H46N2O2 — CID 118719929

IUPAC1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1
InChIInChI=1S/C28H46N2O2/c31-24-11-7-5-3-1-2-4-6-8-13-25-18-22-29(23-19-25)20-12-21-30-27-15-10-9-14-26(27)16-17-28(30)32/h9-10,14-15,25,31H,1-8,11-13,16-24H2
InChIKeyGKFAOGATDDYRDQ-UHFFFAOYSA-N
MW442.69 g/mol
LogP5.96
Rot. Bonds15

About 1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one

1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (PubChem CID 118719929) has the molecular formula C28H46N2O2 and a molecular weight of 442.69 g/mol. Its IUPAC name is 1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
PubChem CID118719929
Molecular FormulaC28H46N2O2
Molecular Weight442.69 g/mol
Exact Mass442.36
IUPAC Name1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one
SMILESO=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1
InChIInChI=1S/C28H46N2O2/c31-24-11-7-5-3-1-2-4-6-8-13-25-18-22-29(23-19-25)20-12-21-30-27-15-10-9-14-26(27)16-17-28(30)32/h9-10,14-15,25,31H,1-8,11-13,16-24H2
InChIKeyGKFAOGATDDYRDQ-UHFFFAOYSA-N
XLogP5.96
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.69
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one (CID 118719929) is 1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is O=C1CCc2ccccc2N1CCCN1CCC(CCCCCCCCCCCO)CC1.
What is the InChIKey of 1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
The InChIKey is GKFAOGATDDYRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N2O2/c31-24-11-7-5-3-1-2-4-6-8-13-25-18-22-29(23-19-25)20-12-21-30-27-15-10-9-14-26(27)16-17-28(30)32/h9-10,14-15,25,31H,1-8,11-13,16-24H2.
What are the key properties of 1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one?
1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one has a molecular weight of 442.69 g/mol, XLogP of 5.96, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(11-hydroxyundecyl)piperidin-1-yl]propyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 118719929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).